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

Systemtic Name: 7-(4-phenoxyphenyl)-2-sulfanyl-heptanoic acid Openeye Name: 7-(4-phenoxyphenyl)-2-sulfanyl-heptanoic acid CAS Name: 2-mercapto-7-(4-phenoxyphenyl)heptanoic acid IUPAC Name: 7-(4-phenoxyphenyl)-2-sulfanylheptanoic acid Traditional Name: 2-mercapto-7-(4-phenoxyphenyl)enanthic acid Formula: C19H22O3S MolecularWeight: 330.44118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)CCCCCC(C(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CCCCCC(C(=O)O)S

InChI

InChI=1S/C19H22O3S/c20-19(21)18(23)10-6-1-3-7-15-11-13-17(14-12-15)22-16-8-4-2-5-9-16/h2,4-5,8-9,11-14,18,23H,1,3,6-7,10H2,(H,20,21)