4-[1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-oxidanyl-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 4-[1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-oxidanyl-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-(2-hydroxy-1-indan-5-ylsulfanyl-2-oxo-ethyl)benzoic acid CAS Name: 4-[1-(2,3-dihydro-1H-inden-5-ylthio)-2-hydroxy-2-oxoethyl]benzoic acid IUPAC Name: 4-[1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-hydroxy-2-oxoethyl]benzoic acid Traditional Name: 4-[2-hydroxy-1-(indan-5-ylthio)-2-keto-ethyl]benzoic acid Formula: C18H16O4S MolecularWeight: 328.38224

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)SC(C3=CC=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)SC(C3=CC=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H16O4S/c19-17(20)13-6-4-12(5-7-13)16(18(21)22)23-15-9-8-11-2-1-3-14(11)10-15/h4-10,16H,1-3H2,(H,19,20)(H,21,22)