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: GPKQHTAVLDBECX-HDPLZVLRSA-F (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28532742

Charge

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C44H58N4O14.Co/c1-21-37-23(8-11-30(49)50)22(2)43(6,48-37)18-28-24(9-12-31(51)52)41(4,19-35(59)60)29(45-28)17-27-25(10-13-32(53)54)42(5,20-36(61)62)44(7,47-27)39-26(16-34(57)58)40(3,38(21)46-39)15-14-33(55)56;/h17,21,25-26,39H,8-16,18-20H2,1-7H3,(H8,45,47,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-1/t21?,25-,26+,39-,40-,41+,42+,43+,44+;/m1./s1/rC44H57CoN4O14/c1-21-37-23(8-11-30(50)51)22(2)43(6)18-28-24(9-12-31(52)53)41(4,19-35(60)61)29-17-27-25(10-13-32(54)55)42(5,20-36(62)63)44(7)39-26(16-34(58)59)40(3,15-14-33(56)57)38(21)47(39)45(46(28)29,48(27)44)49(37)43/h17,21,25-26,39H,8-16,18-20H2,1-7H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/q+1/t21?,25-,26+,39-,40-,41+,42+,43+,44+/m1/s1
C44H57CoN4O14924.87441100
76962534

Charge

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C44H58N4O14.Co/c1-21-37-23(8-11-30(49)50)22(2)43(6,48-37)18-28-24(9-12-31(51)52)41(4,19-35(59)60)29(45-28)17-27-25(10-13-32(53)54)42(5,20-36(61)62)44(7,47-27)39-26(16-34(57)58)40(3,38(21)46-39)15-14-33(55)56;/h17,21,25-26,39H,8-16,18-20H2,1-7H3,(H8,45,47,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-8/t21?,25-,26+,39-,40-,41+,42+,43?,44+;/m1./s1/rC44H57CoN4O14/c1-21-37-23(8-11-30(50)51)22(2)43(6)18-28-24(9-12-31(52)53)41(4,19-35(60)61)29-17-27-25(10-13-32(54)55)42(5,20-36(62)63)44(7)39-26(16-34(58)59)40(3,15-14-33(56)57)38(21)47(39)45(46(28)29,48(27)44)49(37)43/h17,21,25-26,39H,8-16,18-20H2,1-7H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/q+1/p-7/t21?,25-,26+,39-,40-,41+,42+,43?,44+/m1/s1
C44H50CoN4O14917.82271100
76962617

Charge

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C44H58N4O14.Co/c1-21-37-23(8-11-30(49)50)22(2)43(6,48-37)18-28-24(9-12-31(51)52)41(4,19-35(59)60)29(45-28)17-27-25(10-13-32(53)54)42(5,20-36(61)62)44(7,47-27)39-26(16-34(57)58)40(3,38(21)46-39)15-14-33(55)56;/h17,21,25-26,39H,8-16,18-20H2,1-7H3,(H8,45,47,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-1/t21?,25-,26+,39-,40-,41+,42+,43?,44+;/m1./s1/rC44H57CoN4O14/c1-21-37-23(8-11-30(50)51)22(2)43(6)18-28-24(9-12-31(52)53)41(4,19-35(60)61)29-17-27-25(10-13-32(54)55)42(5,20-36(62)63)44(7)39-26(16-34(58)59)40(3,15-14-33(56)57)38(21)47(39)45(46(28)29,48(27)44)49(37)43/h17,21,25-26,39H,8-16,18-20H2,1-7H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/q+1/t21?,25-,26+,39-,40-,41+,42+,43?,44+/m1/s1
C44H57CoN4O14924.87441100

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