6-[9-[2-carboxy-3,4,5,6-tetrakis(chloranyl)phenyl]-7-chloranyl-6-oxidanyl-3-oxidanylidene-xanthen-2-yl]naphthalene-2-carboxylic acid

Systemtic Name: 6-[9-[2-carboxy-3,4,5,6-tetrakis(chloranyl)phenyl]-7-chloranyl-6-oxidanyl-3-oxidanylidene-xanthen-2-yl]naphthalene-2-carboxylic acid Openeye Name: 6-[9-(2-carboxy-3,4,5,6-tetrachloro-phenyl)-7-chloro-6-hydroxy-3-oxo-xanthen-2-yl]naphthalene-2-carboxylic acid CAS Name: 6-[9-(2-carboxy-3,4,5,6-tetrachlorophenyl)-7-chloro-6-hydroxy-3-oxo-2-xanthenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[9-(2-carboxy-3,4,5,6-tetrachlorophenyl)-7-chloro-6-hydroxy-3-oxoxanthen-2-yl]naphthalene-2-carboxylic acid Traditional Name: 6-[9-(2-carboxy-3,4,5,6-tetrachloro-phenyl)-7-chloro-6-hydroxy-3-keto-xanthen-2-yl]-2-naphthoic acid Formula: C31H13Cl5O7 MolecularWeight: 674.69572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)C(=O)O)C=C1C3=CC4=C(C5=CC(=C(C=C5OC4=CC3=O)O)Cl)C6=C(C(=C(C(=C6Cl)Cl)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2)C(=O)O)C=C1C3=CC4=C(C5=CC(=C(C=C5OC4=CC3=O)O)Cl)C6=C(C(=C(C(=C6Cl)Cl)Cl)Cl)C(=O)O

InChI

InChI=1S/C31H13Cl5O7/c32-18-8-17-22(10-20(18)38)43-21-9-19(37)15(13-3-1-12-6-14(30(39)40)4-2-11(12)5-13)7-16(21)23(17)24-25(31(41)42)27(34)29(36)28(35)26(24)33/h1-10,38H,(H,39,40)(H,41,42)