methyl 2-(1,3-benzodioxol-5-ylsulfanyl)-3,3-diphenyl-butanoate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylsulfanyl)-3,3-diphenyl-butanoate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylsulfanyl)-3,3-diphenyl-butanoate CAS Name: 2-(1,3-benzodioxol-5-ylthio)-3,3-diphenylbutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylsulfanyl)-3,3-diphenylbutanoate Traditional Name: 2-(1,3-benzodioxol-5-ylthio)-3,3-diphenyl-butyric acid methyl ester Formula: C24H22O4S MolecularWeight: 406.49408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(C(=O)OC)SC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(C(=O)OC)SC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H22O4S/c1-24(17-9-5-3-6-10-17,18-11-7-4-8-12-18)22(23(25)26-2)29-19-13-14-20-21(15-19)28-16-27-20/h3-15,22H,16H2,1-2H3