5-[1-(3-carboxy-5-chloranyl-4-methyl-phenyl)-7-oxidanyl-7-oxidanylidene-hept-1-enyl]-3-chloranyl-2-methyl-benzoic acid

Systemtic Name: 5-[1-(3-carboxy-5-chloranyl-4-methyl-phenyl)-7-oxidanyl-7-oxidanylidene-hept-1-enyl]-3-chloranyl-2-methyl-benzoic acid Openeye Name: 5-[1-(3-carboxy-5-chloro-4-methyl-phenyl)-7-hydroxy-7-oxo-hept-1-enyl]-3-chloro-2-methyl-benzoic acid CAS Name: 5-[1-(3-carboxy-5-chloro-4-methylphenyl)-7-hydroxy-7-oxohept-1-enyl]-3-chloro-2-methylbenzoic acid IUPAC Name: 5-[1-(3-carboxy-5-chloro-4-methylphenyl)-7-hydroxy-7-oxohept-1-enyl]-3-chloro-2-methylbenzoic acid Traditional Name: 5-[1-(3-carboxy-5-chloro-4-methyl-phenyl)-7-hydroxy-7-keto-hept-1-enyl]-3-chloro-2-methyl-benzoic acid Formula: C23H22Cl2O6 MolecularWeight: 465.32318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Cl)C(=CCCCCC(=O)O)C2=CC(=C(C(=C2)Cl)C)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1Cl)C(=CCCCCC(=O)O)C2=CC(=C(C(=C2)Cl)C)C(=O)O)C(=O)O

InChI

InChI=1S/C23H22Cl2O6/c1-12-17(22(28)29)8-14(10-19(12)24)16(6-4-3-5-7-21(26)27)15-9-18(23(30)31)13(2)20(25)11-15/h6,8-11H,3-5,7H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)