2-[7-(4-methoxyphenyl)sulfanylheptyl]benzoic acid

Systemtic Name: 2-[7-(4-methoxyphenyl)sulfanylheptyl]benzoic acid Openeye Name: 2-[7-(4-methoxyphenyl)sulfanylheptyl]benzoic acid CAS Name: 2-[7-[(4-methoxyphenyl)thio]heptyl]benzoic acid IUPAC Name: 2-[7-(4-methoxyphenyl)sulfanylheptyl]benzoic acid Traditional Name: 2-[7-[(4-methoxyphenyl)thio]heptyl]benzoic acid Formula: C21H26O3S MolecularWeight: 358.49434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCCCCCC2=CC=CC=C2C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)SCCCCCCCC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C21H26O3S/c1-24-18-12-14-19(15-13-18)25-16-8-4-2-3-5-9-17-10-6-7-11-20(17)21(22)23/h6-7,10-15H,2-5,8-9,16H2,1H3,(H,22,23)