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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylsulfanyl)-3,3-diphenyl-pentanoate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylsulfanyl)-3,3-diphenyl-pentanoate CAS Name: 2-(1,3-benzodioxol-5-ylthio)-3,3-diphenylpentanoic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylsulfanyl)-3,3-diphenylpentanoate Traditional Name: 2-(1,3-benzodioxol-5-ylthio)-3,3-diphenyl-valeric acid methyl ester Formula: C25H24O4S MolecularWeight: 420.52066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24O4S/c1-3-25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23(24(26)27-2)30-20-14-15-21-22(16-20)29-17-28-21/h4-16,23H,3,17H2,1-2H3