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: HHCQVBCBDZQDKS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9694384

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C28H38N2O9/c1-15-12-18-25(33)19(14-20(31)26(18)38-6)30-27(34)17(3)8-7-9-21(36-4)22(39-28(29)35)11-10-16(2)24(32)23(13-15)37-5/h7-11,14-16,21-24,32H,12-13H2,1-6H3,(H2,29,35)(H,30,34)/b9-7+,11-10+,17-8-/t15-,16+,21+,22+,23+,24-/m1/s1
C28H38N2O9546.60932100
24692265

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C28H38N2O9/c1-15-12-18-25(33)19(14-20(31)26(18)38-6)30-27(34)17(3)8-7-9-21(36-4)22(39-28(29)35)11-10-16(2)24(32)23(13-15)37-5/h7-11,14-16,21-24,32H,12-13H2,1-6H3,(H2,29,35)(H,30,34)/b9-7-,11-10+,17-8+/t15-,16+,21+,22+,23+,24-/m1/s1
C28H38N2O9546.60932200
58140002

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C28H38N2O9/c1-15-12-18-25(33)19(14-20(31)26(18)38-6)30-27(34)17(3)8-7-9-21(36-4)22(39-28(29)35)11-10-16(2)24(32)23(13-15)37-5/h7-11,14-16,21-24,32H,12-13H2,1-6H3,(H2,29,35)(H,30,34)/b9-7-,11-10+,17-8-/t15-,16+,21+,22+,23+,24-/m1/s1
C28H38N2O9546.60931100

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