2-[1-[3-(4-chlorophenyl)-2-oxidanyl-5-thiophen-2-yl-phenyl]ethylidene]propanedioic acid

Systemtic Name: 2-[1-[3-(4-chlorophenyl)-2-oxidanyl-5-thiophen-2-yl-phenyl]ethylidene]propanedioic acid Openeye Name: 2-[1-[3-(4-chlorophenyl)-2-hydroxy-5-(2-thienyl)phenyl]ethylidene]propanedioic acid CAS Name: 2-[1-[3-(4-chlorophenyl)-2-hydroxy-5-thiophen-2-ylphenyl]ethylidene]propanedioic acid IUPAC Name: 2-[1-[3-(4-chlorophenyl)-2-hydroxy-5-thiophen-2-ylphenyl]ethylidene]propanedioic acid Traditional Name: 2-[1-[3-(4-chlorophenyl)-2-hydroxy-5-(2-thienyl)phenyl]ethylidene]malonic acid Formula: C21H15ClO5S MolecularWeight: 414.8588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)O)C(=O)O)C1=CC(=CC(=C1O)C2=CC=C(C=C2)Cl)C3=CC=CS3

Isomeric SMILES

CC(=C(C(=O)O)C(=O)O)C1=CC(=CC(=C1O)C2=CC=C(C=C2)Cl)C3=CC=CS3

InChI

InChI=1S/C21H15ClO5S/c1-11(18(20(24)25)21(26)27)15-9-13(17-3-2-8-28-17)10-16(19(15)23)12-4-6-14(22)7-5-12/h2-10,23H,1H3,(H,24,25)(H,26,27)