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: RALTWIHELIOKRN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4698242

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H35N3O3S/c1-4-46-39(45)35-36(29-15-9-6-10-16-29)41-40-43(37(35)30-21-19-28(20-22-30)26(2)3)38(44)34(47-40)23-31-25-42(24-27-13-7-5-8-14-27)33-18-12-11-17-32(31)33/h5-23,25-26,37H,4,24H2,1-3H3/b34-23-
C40H35N3O3S637.7892151300
2512026

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H35N3O3S/c1-4-46-39(45)35-36(29-15-9-6-10-16-29)41-40-43(37(35)30-21-19-28(20-22-30)26(2)3)38(44)34(47-40)23-31-25-42(24-27-13-7-5-8-14-27)33-18-12-11-17-32(31)33/h5-23,25-26,37H,4,24H2,1-3H3
C40H35N3O3S637.78926300
34434187

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H35N3O3S/c1-4-46-39(45)35-36(29-15-9-6-10-16-29)41-40-43(37(35)30-21-19-28(20-22-30)26(2)3)38(44)34(47-40)23-31-25-42(24-27-13-7-5-8-14-27)33-18-12-11-17-32(31)33/h5-23,25-26,37H,4,24H2,1-3H3/b34-23+
C40H35N3O3S637.78925200

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