ethyl 13-(4-methylphenyl)-2-(4-sulfanylphenyl)tridecanoate

Systemtic Name: ethyl 13-(4-methylphenyl)-2-(4-sulfanylphenyl)tridecanoate Openeye Name: ethyl 13-(p-tolyl)-2-(4-sulfanylphenyl)tridecanoate CAS Name: 2-(4-mercaptophenyl)-13-(4-methylphenyl)tridecanoic acid ethyl ester IUPAC Name: ethyl 13-(4-methylphenyl)-2-(4-sulfanylphenyl)tridecanoate Traditional Name: 2-(4-mercaptophenyl)-13-(p-tolyl)tridecanoic acid ethyl ester Formula: C28H40O2S MolecularWeight: 440.681

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCCCCCCCC1=CC=C(C=C1)C)C2=CC=C(C=C2)S

Isomeric SMILES

CCOC(=O)C(CCCCCCCCCCCC1=CC=C(C=C1)C)C2=CC=C(C=C2)S

InChI

InChI=1S/C28H40O2S/c1-3-30-28(29)27(25-19-21-26(31)22-20-25)14-12-10-8-6-4-5-7-9-11-13-24-17-15-23(2)16-18-24/h15-22,27,31H,3-14H2,1-2H3