(2-chlorophenyl)sulfanyl 4-octoxybenzoate

Systemtic Name: (2-chlorophenyl)sulfanyl 4-octoxybenzoate Openeye Name: (2-chlorophenyl)sulfanyl 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid [(2-chlorophenyl)thio] ester IUPAC Name: (2-chlorophenyl)sulfanyl 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid [(2-chlorophenyl)thio] ester Formula: C21H25ClO3S MolecularWeight: 392.9394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OSC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OSC2=CC=CC=C2Cl

InChI

InChI=1S/C21H25ClO3S/c1-2-3-4-5-6-9-16-24-18-14-12-17(13-15-18)21(23)25-26-20-11-8-7-10-19(20)22/h7-8,10-15H,2-6,9,16H2,1H3