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

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-2-phenyl-acetic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)thio]-2-phenylacetic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-2-phenylacetic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)thio]-2-phenyl-acetic acid Formula: C18H16O3S MolecularWeight: 312.38284

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H16O3S/c1-2-3-13-21-15-9-11-16(12-10-15)22-17(18(19)20)14-7-5-4-6-8-14/h4-12,17H,13H2,1H3,(H,19,20)