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 7 results

Search term: YCDZBVXSGVWFFX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
57620917

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C36H62O8/c1-20(10-9-14-32(2,3)42)21-11-16-36(8)27(21)22(38)18-25-34(6)15-13-26(33(4,5)24(34)12-17-35(25,36)7)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/b20-10+/t21-,22-,23-,24+,25-,26+,27+,28-,29+,30-,31+,34+,35-,36-/m1/s1
C36H62O8622.87278700
68054531

Double-bond stereo

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C36H62O8/c1-20(10-9-14-32(2,3)42)21-11-16-36(8)27(21)22(38)18-25-34(6)15-13-26(33(4,5)24(34)12-17-35(25,36)7)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/b20-10+/t21-,22+,23-,24?,25?,26-,27-,28-,29+,30-,31+,34+,35-,36+/m1/s1
C36H62O8622.87277800
82963995

Double-bond stereo

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C36H62O8/c1-20(10-9-14-32(2,3)42)21-11-16-36(8)27(21)22(38)18-25-34(6)15-13-26(33(4,5)24(34)12-17-35(25,36)7)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/b20-10+/t21-,22+,23-,24?,25-,26-,27+,28-,29+,30-,31+,34+,35-,36-/m1/s1
C36H62O8622.87274500
101936458

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C36H62O8/c1-20(10-9-14-32(2,3)42)21-11-16-36(8)27(21)22(38)18-25-34(6)15-13-26(33(4,5)24(34)12-17-35(25,36)7)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/b20-10-/t21-,22-,23-,24+,25-,26+,27+,28-,29+,30-,31+,34+,35-,36-/m1/s1
C36H62O8622.87273400
82964782

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C36H62O8/c1-20(10-9-14-32(2,3)42)21-11-16-36(8)27(21)22(38)18-25-34(6)15-13-26(33(4,5)24(34)12-17-35(25,36)7)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/b20-10+/t21-,22-,23-,24+,25-,26+,27+,28-,29+,30-,31+,34+,35-,36-/m0/s1
C36H62O8622.87272100
60600953

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C36H62O8/c1-20(10-9-14-32(2,3)42)21-11-16-36(8)27(21)22(38)18-25-34(6)15-13-26(33(4,5)24(34)12-17-35(25,36)7)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/b20-10+/t21-,22-,23-,24-,25-,26+,27+,28-,29+,30-,31+,34+,35-,36-/m1/s1
C36H62O8622.87272200
113063766

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C36H62O8/c1-20(10-9-14-32(2,3)42)21-11-16-36(8)27(21)22(38)18-25-34(6)15-13-26(33(4,5)24(34)12-17-35(25,36)7)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22-,23-,24+,25-,26+,27+,28-,29+,30-,31+,34+,35-,36-/m1/s1
C36H62O8622.87271100

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