2-(4-but-2-ynoxyphenyl)sulfanyl-2-(4-ethoxyphenyl)ethanoic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-2-(4-ethoxyphenyl)ethanoic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-2-(4-ethoxyphenyl)acetic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)thio]-2-(4-ethoxyphenyl)acetic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-2-(4-ethoxyphenyl)acetic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)thio]-2-p-phenetyl-acetic acid Formula: C20H20O4S MolecularWeight: 356.4354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C(=O)O)SC2=CC=C(C=C2)OCC#CC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C(=O)O)SC2=CC=C(C=C2)OCC#CC

InChI

InChI=1S/C20H20O4S/c1-3-5-14-24-17-10-12-18(13-11-17)25-19(20(21)22)15-6-8-16(9-7-15)23-4-2/h6-13,19H,4,14H2,1-2H3,(H,21,22)