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: MCFPFDWGAYKASJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4829649

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C35H29N5O8S/c1-5-47-34(43)30-20(2)36-35-39(32(30)23-14-15-27(48-21(3)41)28(17-23)46-4)33(42)29(49-35)18-24-19-38(25-11-7-6-8-12-25)37-31(24)22-10-9-13-26(16-22)40(44)45/h6-19,32H,5H2,1-4H3/b29-18-
C35H29N5O8S679.6985151100
22901973

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C35H29N5O8S/c1-5-47-34(43)30-20(2)36-35-39(32(30)23-14-15-27(48-21(3)41)28(17-23)46-4)33(42)29(49-35)18-24-19-38(25-11-7-6-8-12-25)37-31(24)22-10-9-13-26(16-22)40(44)45/h6-19,32H,5H2,1-4H3/b29-18+
C35H29N5O8S679.69853300
3815699

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C35H29N5O8S/c1-5-47-34(43)30-20(2)36-35-39(32(30)23-14-15-27(48-21(3)41)28(17-23)46-4)33(42)29(49-35)18-24-19-38(25-11-7-6-8-12-25)37-31(24)22-10-9-13-26(16-22)40(44)45/h6-19,32H,5H2,1-4H3
C35H29N5O8S679.69853200

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