(1-phenyl-4-phenylsulfanyl-butyl) benzoate

Systemtic Name: (1-phenyl-4-phenylsulfanyl-butyl) benzoate Openeye Name: (1-phenyl-4-phenylsulfanyl-butyl) benzoate CAS Name: benzoic acid [1-phenyl-4-(phenylthio)butyl] ester IUPAC Name: (1-phenyl-4-phenylsulfanylbutyl) benzoate Traditional Name: benzoic acid [1-phenyl-4-(phenylthio)butyl] ester Formula: C23H22O2S MolecularWeight: 362.48458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCSC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CCCSC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H22O2S/c24-23(20-13-6-2-7-14-20)25-22(19-11-4-1-5-12-19)17-10-18-26-21-15-8-3-9-16-21/h1-9,11-16,22H,10,17-18H2