5-(4-phenylmethoxyphenyl)-2-sulfanyl-pentanoic acid

Systemtic Name: 5-(4-phenylmethoxyphenyl)-2-sulfanyl-pentanoic acid Openeye Name: 5-(4-benzyloxyphenyl)-2-sulfanyl-pentanoic acid CAS Name: 2-mercapto-5-(4-phenylmethoxyphenyl)pentanoic acid IUPAC Name: 5-(4-phenylmethoxyphenyl)-2-sulfanylpentanoic acid Traditional Name: 5-(4-benzoxyphenyl)-2-mercapto-valeric acid Formula: C18H20O3S MolecularWeight: 316.4146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O3S/c19-18(20)17(22)8-4-7-14-9-11-16(12-10-14)21-13-15-5-2-1-3-6-15/h1-3,5-6,9-12,17,22H,4,7-8,13H2,(H,19,20)