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: IRXHUJRVDQRQOD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23009348

Double-bond stereo

3 of 8 defined stereocentres - 3/8 defined
InChI=1/C32H42N2O6/c1-29-13-10-25-26(32(29,39)16-12-24(29)22-17-28(37)40-19-22)11-15-31(38)18-23(35)9-14-30(25,31)20-33-34-27(36)8-7-21-5-3-2-4-6-21/h2-6,17,20,23-26,35,38-39H,7-16,18-19H2,1H3,(H,34,36)/b33-20+/t23-,24?,25+,26-,29?,30?,31?,32?/m1/s1
C32H42N2O6550.68576500
2873929

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C32H42N2O6/c1-29-13-10-25-26(32(29,39)16-12-24(29)22-17-28(37)40-19-22)11-15-31(38)18-23(35)9-14-30(25,31)20-33-34-27(36)8-7-21-5-3-2-4-6-21/h2-6,17,20,23-26,35,38-39H,7-16,18-19H2,1H3,(H,34,36)
C32H42N2O6550.6856799999982100
113652739

Double-bond stereo

3 of 8 defined stereocentres - 3/8 defined
InChI=1/C32H42N2O6/c1-29-13-10-25-26(32(29,39)16-12-24(29)22-17-28(37)40-19-22)11-15-31(38)18-23(35)9-14-30(25,31)20-33-34-27(36)8-7-21-5-3-2-4-6-21/h2-6,17,20,23-26,35,38-39H,7-16,18-19H2,1H3,(H,34,36)/b33-20+/t23-,24?,25+,26-,29?,30?,31?,32?/m0/s1
C32H42N2O6550.68571100

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