2-[4-[(E)-3-(4-chloranyl-2-oxidanyl-phenyl)-3-oxidanylidene-prop-1-enyl]phenyl]sulfanyl-2-methyl-propanoic acid

Systemtic Name: 2-[4-[(E)-3-(4-chloranyl-2-oxidanyl-phenyl)-3-oxidanylidene-prop-1-enyl]phenyl]sulfanyl-2-methyl-propanoic acid Openeye Name: 2-[4-[(E)-3-(4-chloro-2-hydroxy-phenyl)-3-oxo-prop-1-enyl]phenyl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[4-[(E)-3-(4-chloro-2-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]thio]-2-methylpropanoic acid IUPAC Name: 2-[4-[(E)-3-(4-chloro-2-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[[4-[(E)-3-(4-chloro-2-hydroxy-phenyl)-3-keto-prop-1-enyl]phenyl]thio]-2-methyl-propionic acid Formula: C19H17ClO4S MolecularWeight: 376.85388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)Cl)O

Isomeric SMILES

CC(C)(C(=O)O)SC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)Cl)O

InChI

InChI=1S/C19H17ClO4S/c1-19(2,18(23)24)25-14-7-3-12(4-8-14)5-10-16(21)15-9-6-13(20)11-17(15)22/h3-11,22H,1-2H3,(H,23,24)/b10-5+