2-[9-(2-carboxyethyl)-2-chloranyl-10-oxidanyl-3-oxidanylidene-benzo[c]xanthen-7-yl]benzoic acid

Systemtic Name: 2-[9-(2-carboxyethyl)-2-chloranyl-10-oxidanyl-3-oxidanylidene-benzo[c]xanthen-7-yl]benzoic acid Openeye Name: 2-[9-(2-carboxyethyl)-2-chloro-10-hydroxy-3-oxo-benzo[c]xanthen-7-yl]benzoic acid CAS Name: 2-[9-(2-carboxyethyl)-2-chloro-10-hydroxy-3-oxo-7-benzo[c]xanthenyl]benzoic acid IUPAC Name: 2-[9-(2-carboxyethyl)-2-chloro-10-hydroxy-3-oxobenzo[c]xanthen-7-yl]benzoic acid Traditional Name: 2-[9-(2-carboxyethyl)-2-chloro-10-hydroxy-3-keto-benzo[c]xanthen-7-yl]benzoic acid Formula: C27H17ClO7 MolecularWeight: 488.87268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC4=CC(=O)C(=CC4=C3OC5=CC(=C(C=C52)CCC(=O)O)O)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=CC4=CC(=O)C(=CC4=C3OC5=CC(=C(C=C52)CCC(=O)O)O)Cl)C(=O)O

InChI

InChI=1S/C27H17ClO7/c28-20-11-18-13(10-22(20)30)5-7-17-25(15-3-1-2-4-16(15)27(33)34)19-9-14(6-8-24(31)32)21(29)12-23(19)35-26(17)18/h1-5,7,9-12,29H,6,8H2,(H,31,32)(H,33,34)