7-(4-phenylmethoxyphenyl)-2-sulfanyl-heptanoic acid

Systemtic Name: 7-(4-phenylmethoxyphenyl)-2-sulfanyl-heptanoic acid Openeye Name: 7-(4-benzyloxyphenyl)-2-sulfanyl-heptanoic acid CAS Name: 2-mercapto-7-(4-phenylmethoxyphenyl)heptanoic acid IUPAC Name: 7-(4-phenylmethoxyphenyl)-2-sulfanylheptanoic acid Traditional Name: 7-(4-benzoxyphenyl)-2-mercapto-enanthic acid Formula: C20H24O3S MolecularWeight: 344.46776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CCCCCC(C(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CCCCCC(C(=O)O)S

InChI

InChI=1S/C20H24O3S/c21-20(22)19(24)10-6-2-3-7-16-11-13-18(14-12-16)23-15-17-8-4-1-5-9-17/h1,4-5,8-9,11-14,19,24H,2-3,6-7,10,15H2,(H,21,22)