2,5-bis(chloranyl)-4-(2,7-dinaphthalen-2-yl-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzene-1,3-dicarboxylic acid

Systemtic Name: 2,5-bis(chloranyl)-4-(2,7-dinaphthalen-2-yl-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzene-1,3-dicarboxylic acid Openeye Name: 2,5-dichloro-4-[3-hydroxy-2,7-bis(2-naphthyl)-6-oxo-xanthen-9-yl]benzene-1,3-dicarboxylic acid CAS Name: 2,5-dichloro-4-[3-hydroxy-2,7-bis(2-naphthalenyl)-6-oxo-9-xanthenyl]benzene-1,3-dicarboxylic acid IUPAC Name: 2,5-dichloro-4-(3-hydroxy-2,7-dinaphthalen-2-yl-6-oxoxanthen-9-yl)benzene-1,3-dicarboxylic acid Traditional Name: 2,5-dichloro-4-[3-hydroxy-6-keto-2,7-bis(2-naphthyl)xanthen-9-yl]isophthalic acid Formula: C41H22Cl2O7 MolecularWeight: 697.51518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C3=CC4=C(C5=CC(=C(C=C5OC4=CC3=O)O)C6=CC7=CC=CC=C7C=C6)C8=C(C=C(C(=C8C(=O)O)Cl)C(=O)O)Cl

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C3=CC4=C(C5=CC(=C(C=C5OC4=CC3=O)O)C6=CC7=CC=CC=C7C=C6)C8=C(C=C(C(=C8C(=O)O)Cl)C(=O)O)Cl

InChI

InChI=1S/C41H22Cl2O7/c42-31-17-30(40(46)47)39(43)38(41(48)49)37(31)36-28-15-26(24-11-9-20-5-1-3-7-22(20)13-24)32(44)18-34(28)50-35-19-33(45)27(16-29(35)36)25-12-10-21-6-2-4-8-23(21)14-25/h1-19,44H,(H,46,47)(H,48,49)