2-[3-chloranyl-5-(3-methoxy-3-oxidanylidene-propyl)-2,4-bis(oxidanyl)phenyl]carbonylbenzoic acid

Systemtic Name: 2-[3-chloranyl-5-(3-methoxy-3-oxidanylidene-propyl)-2,4-bis(oxidanyl)phenyl]carbonylbenzoic acid Openeye Name: 2-[3-chloro-2,4-dihydroxy-5-(3-methoxy-3-oxo-propyl)benzoyl]benzoic acid CAS Name: 2-[[3-chloro-2,4-dihydroxy-5-(3-methoxy-3-oxopropyl)phenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[3-chloro-2,4-dihydroxy-5-(3-methoxy-3-oxopropyl)benzoyl]benzoic acid Traditional Name: 2-[3-chloro-2,4-dihydroxy-5-(3-keto-3-methoxy-propyl)benzoyl]benzoic acid Formula: C18H15ClO7 MolecularWeight: 378.7605

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(C(=C(C(=C1)C(=O)C2=CC=CC=C2C(=O)O)O)Cl)O

Isomeric SMILES

COC(=O)CCC1=C(C(=C(C(=C1)C(=O)C2=CC=CC=C2C(=O)O)O)Cl)O

InChI

InChI=1S/C18H15ClO7/c1-26-13(20)7-6-9-8-12(17(23)14(19)15(9)21)16(22)10-4-2-3-5-11(10)18(24)25/h2-5,8,21,23H,6-7H2,1H3,(H,24,25)