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: LBSJFNZGEMTYDO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4944360

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H26N2O5S3/c1-13-8-9-22(21(3,29)20(28)31-32-22)11-18(27)23-14(2)19-24-15(12-30-19)6-4-5-7-16(25)17(26)10-13/h4-7,10,12,14,17,26,29H,8-9,11H2,1-3H3,(H,23,27)/b6-4+,7-5-,13-10-
C22H26N2O5S3494.64722200
23315273

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H26N2O5S3/c1-13-8-9-22(21(3,29)20(28)31-32-22)11-18(27)23-14(2)19-24-15(12-30-19)6-4-5-7-16(25)17(26)10-13/h4-7,10,12,14,17,26,29H,8-9,11H2,1-3H3,(H,23,27)/b6-4-,7-5+,13-10+/t14-,17-,21+,22-/m1/s1
C22H26N2O5S3494.64722200
58140796

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H26N2O5S3/c1-13-8-9-22(21(3,29)20(28)31-32-22)11-18(27)23-14(2)19-24-15(12-30-19)6-4-5-7-16(25)17(26)10-13/h4-7,10,12,14,17,26,29H,8-9,11H2,1-3H3,(H,23,27)/b6-4+,7-5-,13-10+/t14-,17-,21+,22-/m1/s1
C22H26N2O5S3494.64721100

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