(2-chlorophenyl)sulfanyl 4-pentylbenzoate

Systemtic Name: (2-chlorophenyl)sulfanyl 4-pentylbenzoate Openeye Name: (2-chlorophenyl)sulfanyl 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [(2-chlorophenyl)thio] ester IUPAC Name: (2-chlorophenyl)sulfanyl 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [(2-chlorophenyl)thio] ester Formula: C18H19ClO2S MolecularWeight: 334.86026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OSC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OSC2=CC=CC=C2Cl

InChI

InChI=1S/C18H19ClO2S/c1-2-3-4-7-14-10-12-15(13-11-14)18(20)21-22-17-9-6-5-8-16(17)19/h5-6,8-13H,2-4,7H2,1H3