1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-5-methylsulfanyl-2,3-dihydro-1H-indene-2-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-5-methylsulfanyl-2,3-dihydro-1H-indene-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-5-methylsulfanyl-indane-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-5-(methylthio)-2,3-dihydro-1H-indene-2-carboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-5-methylsulfanyl-2,3-dihydro-1H-indene-2-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-5-(methylthio)indane-2-carboxylic acid Formula: C25H22O5S MolecularWeight: 434.50418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(C3=C2C=C(C=C3)SC)C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(C3=C2C=C(C=C3)SC)C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C25H22O5S/c1-28-16-6-3-14(4-7-16)22-19-12-17(31-2)8-9-18(19)23(24(22)25(26)27)15-5-10-20-21(11-15)30-13-29-20/h3-12,22-24H,13H2,1-2H3,(H,26,27)