3-[2,7-bis(chloranyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]-9,10-dimethyl-anthracene-2-carboxylic acid

Systemtic Name: 3-[2,7-bis(chloranyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]-9,10-dimethyl-anthracene-2-carboxylic acid Openeye Name: 3-(2,7-dichloro-3-hydroxy-6-oxo-xanthen-9-yl)-9,10-dimethyl-anthracene-2-carboxylic acid CAS Name: 3-(2,7-dichloro-3-hydroxy-6-oxo-9-xanthenyl)-9,10-dimethyl-2-anthracenecarboxylic acid IUPAC Name: 3-(2,7-dichloro-3-hydroxy-6-oxoxanthen-9-yl)-9,10-dimethylanthracene-2-carboxylic acid Traditional Name: 3-(2,7-dichloro-3-hydroxy-6-keto-xanthen-9-yl)-9,10-dimethyl-anthracene-2-carboxylic acid Formula: C30H18Cl2O5 MolecularWeight: 529.36692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=CC2=C(C3=CC=CC=C13)C)C(=O)O)C4=C5C=C(C(=O)C=C5OC6=CC(=C(C=C64)Cl)O)Cl

Isomeric SMILES

CC1=C2C=C(C(=CC2=C(C3=CC=CC=C13)C)C(=O)O)C4=C5C=C(C(=O)C=C5OC6=CC(=C(C=C64)Cl)O)Cl

InChI

InChI=1S/C30H18Cl2O5/c1-13-15-5-3-4-6-16(15)14(2)18-8-20(30(35)36)19(7-17(13)18)29-21-9-23(31)25(33)11-27(21)37-28-12-26(34)24(32)10-22(28)29/h3-12,33H,1-2H3,(H,35,36)