3,4-bis(azanyl)-2-(3-methyl-6-methylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 3,4-bis(azanyl)-2-(3-methyl-6-methylidene-xanthen-9-yl)benzoic acid Openeye Name: 3,4-diamino-2-(3-methyl-6-methylene-xanthen-9-yl)benzoic acid CAS Name: 3,4-diamino-2-(3-methyl-6-methylene-9-xanthenyl)benzoic acid IUPAC Name: 3,4-diamino-2-(3-methyl-6-methylidenexanthen-9-yl)benzoic acid Traditional Name: 3,4-diamino-2-(3-methyl-6-methylene-xanthen-9-yl)benzoic acid Formula: C22H18N2O3 MolecularWeight: 358.38992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C3C=CC(=C)C=C3O2)C4=C(C=CC(=C4N)N)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C3C=CC(=C)C=C3O2)C4=C(C=CC(=C4N)N)C(=O)O

InChI

InChI=1S/C22H18N2O3/c1-11-3-5-13-17(9-11)27-18-10-12(2)4-6-14(18)19(13)20-15(22(25)26)7-8-16(23)21(20)24/h3-10H,1,23-24H2,2H3,(H,25,26)