2-(3-bromophenyl)-2-(4-but-2-ynoxyphenyl)sulfanyl-ethanoic acid

Systemtic Name: 2-(3-bromophenyl)-2-(4-but-2-ynoxyphenyl)sulfanyl-ethanoic acid Openeye Name: 2-(3-bromophenyl)-2-(4-but-2-ynoxyphenyl)sulfanyl-acetic acid CAS Name: 2-(3-bromophenyl)-2-[(4-but-2-ynoxyphenyl)thio]acetic acid IUPAC Name: 2-(3-bromophenyl)-2-(4-but-2-ynoxyphenyl)sulfanylacetic acid Traditional Name: 2-(3-bromophenyl)-2-[(4-but-2-ynoxyphenyl)thio]acetic acid Formula: C18H15BrO3S MolecularWeight: 391.2789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrO3S/c1-2-3-11-22-15-7-9-16(10-8-15)23-17(18(20)21)13-5-4-6-14(19)12-13/h4-10,12,17H,11H2,1H3,(H,20,21)