(phenylmethyl) 2-[3-[4-(4-methoxyphenyl)phenyl]sulfanylpropyl]naphthalene-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[3-[4-(4-methoxyphenyl)phenyl]sulfanylpropyl]naphthalene-1-carboxylate Openeye Name: benzyl 2-[3-[4-(4-methoxyphenyl)phenyl]sulfanylpropyl]naphthalene-1-carboxylate CAS Name: 2-[3-[[4-(4-methoxyphenyl)phenyl]thio]propyl]-1-naphthalenecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-[4-(4-methoxyphenyl)phenyl]sulfanylpropyl]naphthalene-1-carboxylate Traditional Name: 2-[3-[[4-(4-methoxyphenyl)phenyl]thio]propyl]naphthalene-1-carboxylic acid benzyl ester Formula: C34H30O3S MolecularWeight: 518.6652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)SCCCC3=C(C4=CC=CC=C4C=C3)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)SCCCC3=C(C4=CC=CC=C4C=C3)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C34H30O3S/c1-36-30-19-15-26(16-20-30)27-17-21-31(22-18-27)38-23-7-11-29-14-13-28-10-5-6-12-32(28)33(29)34(35)37-24-25-8-3-2-4-9-25/h2-6,8-10,12-22H,7,11,23-24H2,1H3