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dimethyl 2-(4-methylsulfanylphenyl)heptanedioate

dimethyl 2-(4-methylsulfanylphenyl)heptanedioate

Systemtic Name:dimethyl 2-(4-methylsulfanylphenyl)heptanedioate
Openeye Name:dimethyl 2-(4-methylsulfanylphenyl)heptanedioate
CAS Name:2-[4-(methylthio)phenyl]heptanedioic acid dimethyl ester
IUPAC Name:dimethyl 2-(4-methylsulfanylphenyl)heptanedioate
Traditional Name:2-[4-(methylthio)phenyl]pimelic acid dimethyl ester
Formula: C16H22O4S
MolecularWeight: 310.40848
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(C1=CC=C(C=C1)SC)C(=O)OC


Isomeric SMILES

COC(=O)CCCCC(C1=CC=C(C=C1)SC)C(=O)OC


InChI

InChI=1S/C16H22O4S/c1-19-15(17)7-5-4-6-14(16(18)20-2)12-8-10-13(21-3)11-9-12/h8-11,14H,4-7H2,1-3H3


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