Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 11 results

Search term: ZPAJZAMPZXISSE-LZXXFFAVSA-M (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
30791494

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C20H28O4/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18-19(24-18)15-12-16-20(22)23/h3,5-11,13-14,17-19,21H,2,4,12,15-16H2,1H3,(H,22,23)/b5-3+,8-6-,9-7+,13-10+,14-11+/t17-,18?,19?/m1/s1
C20H28O4332.43395600
58170341

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H28O4/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18-19(24-18)15-12-16-20(22)23/h3,5-11,13-14,17-19,21H,2,4,12,15-16H2,1H3,(H,22,23)/b5-3-,8-6-,9-7+,13-10+,14-11+/t17-,18+,19+/m1/s1
C20H28O4332.43393400
88293926

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H28O4/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18-19(24-18)15-12-16-20(22)23/h3,5-11,13-14,17-19,21H,2,4,12,15-16H2,1H3,(H,22,23)/b5-3-,8-6-,9-7+,13-10+,14-11+/t17-,18+,19-/m0/s1
C20H28O4332.43393300
17220810

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C20H28O4/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18-19(24-18)15-12-16-20(22)23/h3,5-11,13-14,17-19,21H,2,4,12,15-16H2,1H3,(H,22,23)/b5-3-,8-6-,9-7+,13-10+,14-11+/t17-,18?,19?/m1/s1
C20H28O4332.43392200
58827597

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H28O4/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18-19(24-18)15-12-16-20(22)23/h3,5-11,13-14,17-19,21H,2,4,12,15-16H2,1H3,(H,22,23)/b5-3-,8-6-,9-7+,13-10+,14-11+/t17?,18-,19-/m0/s1
C20H28O4332.43392300
64808301

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H28O4/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18-19(24-18)15-12-16-20(22)23/h3,5-11,13-14,17-19,21H,2,4,12,15-16H2,1H3,(H,22,23)/b5-3-,8-6-,9-7+,13-10+,14-11+/t17-,18-,19-/m0/s1
C20H28O4332.43391200
76962823

Charge

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H28O4/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18-19(24-18)15-12-16-20(22)23/h3,5-11,13-14,17-19,21H,2,4,12,15-16H2,1H3,(H,22,23)/p-1/b5-3-,8-6-,9-7+,13-10+,14-11+/t17-,18-,19-/m0/s1
C20H27O4331.42651200
58827275

Charge

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H28O4/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18-19(24-18)15-12-16-20(22)23/h3,5-11,13-14,17-19,21H,2,4,12,15-16H2,1H3,(H,22,23)/p-1/b5-3-,8-6-,9-7+,13-10+,14-11+/t17?,18-,19-/m0/s1
C20H27O4331.42651100
58170275

Charge

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H28O4/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18-19(24-18)15-12-16-20(22)23/h3,5-11,13-14,17-19,21H,2,4,12,15-16H2,1H3,(H,22,23)/p-1/b5-3-,8-6-,9-7+,13-10+,14-11+/t17-,18+,19+/m1/s1
C20H27O4331.42651100

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