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 5 results

Search term: OBVNUYXMOLOYPW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
131225

17 of 21 defined stereocentres - 17/21 defined
InChI=1/C39H62O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(46)31(44)34(27(16-41)50-35)51-36-32(45)30(43)29(42)26(15-40)49-36/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18-,19+,21?,22?,23?,24?,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35-,36+,37+,38+,39-/m1/s1
C39H62O13738.90183300
8277032

16 of 21 defined stereocentres - 16/21 defined
InChI=1/C39H62O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(46)31(44)34(27(16-41)50-35)51-36-32(45)30(43)29(42)26(15-40)49-36/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18-,19+,21+,22?,23?,24?,25?,26+,27-,28?,29+,30-,31-,32+,33-,34+,35-,36-,37+,38+,39-/m1/s1
C39H62O13738.90182100
8827923

19 of 21 defined stereocentres - 19/21 defined
InChI=1/C39H62O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(46)31(44)34(27(16-41)50-35)51-36-32(45)30(43)29(42)26(15-40)49-36/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18-,19+,21+,22-,23+,24+,25?,26-,27-,28?,29-,30+,31-,32-,33-,34-,35-,36+,37+,38+,39-/m1/s1
C39H62O13738.90182100
10142286

13 of 21 defined stereocentres - 13/21 defined
InChI=1/C39H62O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(46)31(44)34(27(16-41)50-35)51-36-32(45)30(43)29(42)26(15-40)49-36/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18?,19?,21-,22?,23?,24?,25?,26+,27+,28?,29+,30+,31-,32+,33+,34+,35+,36-,37-,38-,39?/m0/s1
C39H62O13738.90182200
31126066

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C39H62O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(46)31(44)34(27(16-41)50-35)51-36-32(45)30(43)29(42)26(15-40)49-36/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18-,19+,21+,22-,23+,24+,25+,26+,27+,28+,29-,30+,31-,32+,33+,34-,35-,36+,37+,38+,39-/m1/s1
C39H62O13738.90182200

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