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dimethyl 2-(phenylsulfanylmethyl)butanedioate

dimethyl 2-(phenylsulfanylmethyl)butanedioate

Systemtic Name:dimethyl 2-(phenylsulfanylmethyl)butanedioate
Openeye Name:dimethyl 2-(phenylsulfanylmethyl)butanedioate
CAS Name:2-[(phenylthio)methyl]butanedioic acid dimethyl ester
IUPAC Name:dimethyl 2-(phenylsulfanylmethyl)butanedioate
Traditional Name:2-[(phenylthio)methyl]succinic acid dimethyl ester
Formula: C13H16O4S
MolecularWeight: 268.32874
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CSC1=CC=CC=C1)C(=O)OC


Isomeric SMILES

COC(=O)CC(CSC1=CC=CC=C1)C(=O)OC


InChI

InChI=1S/C13H16O4S/c1-16-12(14)8-10(13(15)17-2)9-18-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3


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