4-(3-azanyl-6-azanylidene-2,7-dimethyl-xanthen-9-yl)-2,5-bis(chloranyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 4-(3-azanyl-6-azanylidene-2,7-dimethyl-xanthen-9-yl)-2,5-bis(chloranyl)benzene-1,3-dicarboxylic acid Openeye Name: 4-(3-amino-6-imino-2,7-dimethyl-xanthen-9-yl)-2,5-dichloro-benzene-1,3-dicarboxylic acid CAS Name: 4-(3-amino-6-imino-2,7-dimethyl-9-xanthenyl)-2,5-dichlorobenzene-1,3-dicarboxylic acid IUPAC Name: 4-(3-amino-6-imino-2,7-dimethylxanthen-9-yl)-2,5-dichlorobenzene-1,3-dicarboxylic acid Traditional Name: 4-(3-amino-6-imino-2,7-dimethyl-xanthen-9-yl)-2,5-dichloro-isophthalic acid Formula: C23H16Cl2N2O5 MolecularWeight: 471.28954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C3=CC(=C(C=C3OC2=CC1=N)N)C)C4=C(C=C(C(=C4C(=O)O)Cl)C(=O)O)Cl

Isomeric SMILES

CC1=CC2=C(C3=CC(=C(C=C3OC2=CC1=N)N)C)C4=C(C=C(C(=C4C(=O)O)Cl)C(=O)O)Cl

InChI

InChI=1S/C23H16Cl2N2O5/c1-8-3-10-16(6-14(8)26)32-17-7-15(27)9(2)4-11(17)18(10)19-13(24)5-12(22(28)29)21(25)20(19)23(30)31/h3-7,26H,27H2,1-2H3,(H,28,29)(H,30,31)