2-(4-butoxyphenyl)sulfanyl-2-naphthalen-1-yl-ethanoic acid

Systemtic Name: 2-(4-butoxyphenyl)sulfanyl-2-naphthalen-1-yl-ethanoic acid Openeye Name: 2-(4-butoxyphenyl)sulfanyl-2-(1-naphthyl)acetic acid CAS Name: 2-[(4-butoxyphenyl)thio]-2-(1-naphthalenyl)acetic acid IUPAC Name: 2-(4-butoxyphenyl)sulfanyl-2-naphthalen-1-ylacetic acid Traditional Name: 2-[(4-butoxyphenyl)thio]-2-(1-naphthyl)acetic acid Formula: C22H22O3S MolecularWeight: 366.47328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)SC(C2=CC=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)SC(C2=CC=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C22H22O3S/c1-2-3-15-25-17-11-13-18(14-12-17)26-21(22(23)24)20-10-6-8-16-7-4-5-9-19(16)20/h4-14,21H,2-3,15H2,1H3,(H,23,24)