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: IKNCMMKGCXBZIQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4715500

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H27N3O7S/c1-6-38-28(33)24-23(16-8-10-19(35-3)21(13-16)37-5)17(14-29)25(30)31-26(32)22(39-27(24)31)12-15-7-9-18(34-2)20(11-15)36-4/h7-13,23H,6,30H2,1-5H3/b22-12-
C28H27N3O7S549.5949121000
2692653

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H27N3O7S/c1-6-38-28(33)24-23(16-8-10-19(35-3)21(13-16)37-5)17(14-29)25(30)31-26(32)22(39-27(24)31)12-15-7-9-18(34-2)20(11-15)36-4/h7-13,23H,6,30H2,1-5H3
C28H27N3O7S549.5948799999993200
110252750

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H27N3O7S/c1-6-38-28(33)24-23(16-8-10-19(35-3)21(13-16)37-5)17(14-29)25(30)31-26(32)22(39-27(24)31)12-15-7-9-18(34-2)20(11-15)36-4/h7-13,23H,6,30H2,1-5H3/b22-12+
C28H27N3O7S549.59491100

Advertisement