(2-chlorophenyl)sulfanyl 4-octylbenzoate

Systemtic Name: (2-chlorophenyl)sulfanyl 4-octylbenzoate Openeye Name: (2-chlorophenyl)sulfanyl 4-octylbenzoate CAS Name: 4-octylbenzoic acid [(2-chlorophenyl)thio] ester IUPAC Name: (2-chlorophenyl)sulfanyl 4-octylbenzoate Traditional Name: 4-octylbenzoic acid [(2-chlorophenyl)thio] ester Formula: C21H25ClO2S MolecularWeight: 376.94

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)OSC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)OSC2=CC=CC=C2Cl

InChI

InChI=1S/C21H25ClO2S/c1-2-3-4-5-6-7-10-17-13-15-18(16-14-17)21(23)24-25-20-12-9-8-11-19(20)22/h8-9,11-16H,2-7,10H2,1H3