2-[(E)-7-(4-chlorophenyl)hept-6-enyl]sulfanylbenzoic acid

Systemtic Name: 2-[(E)-7-(4-chlorophenyl)hept-6-enyl]sulfanylbenzoic acid Openeye Name: 2-[(E)-7-(4-chlorophenyl)hept-6-enyl]sulfanylbenzoic acid CAS Name: 2-[[(E)-7-(4-chlorophenyl)hept-6-enyl]thio]benzoic acid IUPAC Name: 2-[(E)-7-(4-chlorophenyl)hept-6-enyl]sulfanylbenzoic acid Traditional Name: 2-[[(E)-7-(4-chlorophenyl)hept-6-enyl]thio]benzoic acid Formula: C20H21ClO2S MolecularWeight: 360.89754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCCCCCC=CC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCCCCC/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H21ClO2S/c21-17-13-11-16(12-14-17)8-4-2-1-3-7-15-24-19-10-6-5-9-18(19)20(22)23/h4-6,8-14H,1-3,7,15H2,(H,22,23)/b8-4+