methyl 2-(1,3-benzodioxol-5-ylsulfanyl)-3,3-bis(4-methoxyphenyl)pentanoate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylsulfanyl)-3,3-bis(4-methoxyphenyl)pentanoate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylsulfanyl)-3,3-bis(4-methoxyphenyl)pentanoate CAS Name: 2-(1,3-benzodioxol-5-ylthio)-3,3-bis(4-methoxyphenyl)pentanoic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylsulfanyl)-3,3-bis(4-methoxyphenyl)pentanoate Traditional Name: 2-(1,3-benzodioxol-5-ylthio)-3,3-bis(4-methoxyphenyl)valeric acid methyl ester Formula: C27H28O6S MolecularWeight: 480.57262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28O6S/c1-5-27(18-6-10-20(29-2)11-7-18,19-8-12-21(30-3)13-9-19)25(26(28)31-4)34-22-14-15-23-24(16-22)33-17-32-23/h6-16,25H,5,17H2,1-4H3