2-[2,7-bis(azanyl)-4,5-dimethyl-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[2,7-bis(azanyl)-4,5-dimethyl-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoic acid Openeye Name: 2-(2,7-diamino-3-hydroxy-4,5-dimethyl-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 2-(2,7-diamino-3-hydroxy-4,5-dimethyl-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 2-(2,7-diamino-3-hydroxy-4,5-dimethyl-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 2-(2,7-diamino-3-hydroxy-6-keto-4,5-dimethyl-xanthen-9-yl)benzoic acid Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1O)N)C(=C3C=C(C(=O)C(=C3O2)C)N)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1O)N)C(=C3C=C(C(=O)C(=C3O2)C)N)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H18N2O5/c1-9-18(25)15(23)7-13-17(11-5-3-4-6-12(11)22(27)28)14-8-16(24)19(26)10(2)21(14)29-20(9)13/h3-8,25H,23-24H2,1-2H3,(H,27,28)