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 3 results

Search term: XHLLHKIBBMZXKO-NXQAVURYSA-D (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28532741

Charge

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C43H52N4O16.Co/c1-40(12-11-33(54)55)24(14-35(58)59)38-39-42(3,19-37(62)63)21(6-9-31(50)51)26(45-39)16-29-41(2,18-36(60)61)22(7-10-32(52)53)27(44-29)17-43(4)23(13-34(56)57)20(5-8-30(48)49)25(47-43)15-28(40)46-38;/h15-16,21,24H,5-14,17-19H2,1-4H3,(H10,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-2/b39-38-;/t21-,24+,40-,41+,42+,43+;/m1./s1/rC43H50CoN4O16/c1-40(12-11-33(55)56)24(14-35(59)60)38-39-42(3,19-37(63)64)21(6-9-31(51)52)26-16-29-41(2,18-36(61)62)22(7-10-32(53)54)27-17-43(4)23(13-34(57)58)20(5-8-30(49)50)25-15-28(40)47(38)44(45(27)29,46(26)39)48(25)43/h15-16,21,24H,5-14,17-19H2,1-4H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)/t21-,24+,40-,41+,42+,43+/m1/s1
C43H50CoN4O16937.80752300
30791971

Charge

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C43H52N4O16.Co/c1-40(12-11-33(54)55)24(14-35(58)59)38-39-42(3,19-37(62)63)21(6-9-31(50)51)26(45-39)16-29-41(2,18-36(60)61)22(7-10-32(52)53)27(44-29)17-43(4)23(13-34(56)57)20(5-8-30(48)49)25(47-43)15-28(40)46-38;/h15-16,21,24H,5-14,17-19H2,1-4H3,(H10,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-2/b39-38-;/t21-,24+,40-,41+,42+,43+;/m1./s1/rC43H50CoN4O16/c1-40(12-11-33(55)56)24(14-35(59)60)38-39-42(3,19-37(63)64)22(7-10-32(53)54)27-16-29-41(2,18-36(61)62)21(6-9-31(51)52)25(45-29)17-43(4)23(13-34(57)58)20(5-8-30(49)50)26(15-28(40)46-38)48(43)44-47(27)39/h15-16,22,24H,5-14,17-19H2,1-4H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)/b26-15-,27-16-,39-38-/t22-,24+,40-,41+,42+,43+/m1/s1
C43H50CoN4O16937.80751100
65322961

Charge

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C43H52N4O16.Co/c1-40(12-11-33(54)55)24(14-35(58)59)38-39-42(3,19-37(62)63)21(6-9-31(50)51)26(45-39)16-29-41(2,18-36(60)61)22(7-10-32(52)53)27(44-29)17-43(4)23(13-34(56)57)20(5-8-30(48)49)25(47-43)15-28(40)46-38;/h15-16,21,24H,5-14,17-19H2,1-4H3,(H10,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-2/b39-38-;/t21-,24+,40-,41+,42+,43+;/m1./s1
C43H50CoN4O16937.80751100

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