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 4 results

Search term: ZVAQGQOEHFIYMQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10160833

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H32Cl3NO.C16H26O5/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28;1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3;9-14H,5-8H2,1-4H3/b25-15-;/t;9-,10-,11+,12+,13+,14-,15-,16-/m.1/s1
C46H58Cl3NO6827.314861100
4953351

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H32Cl3NO.C16H26O5/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28;1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3;9-14H,5-8H2,1-4H3/b25-15-;/t;9-,10-,11+,12+,13+,14-,15?,16-/m.1/s1
C46H58Cl3NO6827.31484400
21106282

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H32Cl3NO.C16H26O5/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28;1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3;9-14H,5-8H2,1-4H3/b25-15-;/t;9-,10-,11+,12+,13+,14-,15-,16?/m.1/s1
C46H58Cl3NO6827.314822700
95636880

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H32Cl3NO.C16H26O5/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28;1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3;9-14H,5-8H2,1-4H3/b25-15-;/t;9-,10-,11+,12+,13+,14-,15+,16-/m.1/s1
C46H58Cl3NO6827.31481100

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