2-(4-but-2-ynoxyphenyl)-2-naphthalen-1-yl-2-sulfanyl-ethanoic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)-2-naphthalen-1-yl-2-sulfanyl-ethanoic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)-2-(1-naphthyl)-2-sulfanyl-acetic acid CAS Name: 2-(4-but-2-ynoxyphenyl)-2-mercapto-2-(1-naphthalenyl)acetic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)-2-naphthalen-1-yl-2-sulfanylacetic acid Traditional Name: 2-(4-but-2-ynoxyphenyl)-2-mercapto-2-(1-naphthyl)acetic acid Formula: C22H18O3S MolecularWeight: 362.44152

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)C(C2=CC=CC3=CC=CC=C32)(C(=O)O)S

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)C(C2=CC=CC3=CC=CC=C32)(C(=O)O)S

InChI

InChI=1S/C22H18O3S/c1-2-3-15-25-18-13-11-17(12-14-18)22(26,21(23)24)20-10-6-8-16-7-4-5-9-19(16)20/h4-14,26H,15H2,1H3,(H,23,24)