2-[1-(4-sulfanylphenyl)hexan-3-yl]naphthalene-1-carboxylic acid

Systemtic Name: 2-[1-(4-sulfanylphenyl)hexan-3-yl]naphthalene-1-carboxylic acid Openeye Name: 2-[1-[2-(4-sulfanylphenyl)ethyl]butyl]naphthalene-1-carboxylic acid CAS Name: 2-[1-(4-mercaptophenyl)hexan-3-yl]-1-naphthalenecarboxylic acid IUPAC Name: 2-[1-(4-sulfanylphenyl)hexan-3-yl]naphthalene-1-carboxylic acid Traditional Name: 2-[1-[2-(4-mercaptophenyl)ethyl]butyl]-1-naphthoic acid Formula: C23H24O2S MolecularWeight: 364.50046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC1=CC=C(C=C1)S)C2=C(C3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

CCCC(CCC1=CC=C(C=C1)S)C2=C(C3=CC=CC=C3C=C2)C(=O)O

InChI

InChI=1S/C23H24O2S/c1-2-5-17(11-8-16-9-13-19(26)14-10-16)21-15-12-18-6-3-4-7-20(18)22(21)23(24)25/h3-4,6-7,9-10,12-15,17,26H,2,5,8,11H2,1H3,(H,24,25)