2-[3-azanyl-6-(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)imino-xanthen-9-yl]-6-oxidanyl-benzoic acid

Systemtic Name: 2-[3-azanyl-6-(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)imino-xanthen-9-yl]-6-oxidanyl-benzoic acid Openeye Name: 2-[3-amino-6-(2-amino-4-hydroxy-4-oxo-butanoyl)imino-xanthen-9-yl]-6-hydroxy-benzoic acid CAS Name: 2-[3-amino-6-(2-amino-4-hydroxy-1,4-dioxobutyl)imino-9-xanthenyl]-6-hydroxybenzoic acid IUPAC Name: 2-[3-amino-6-(2-amino-4-hydroxy-4-oxobutanoyl)iminoxanthen-9-yl]-6-hydroxybenzoic acid Traditional Name: 2-[3-amino-6-(2-amino-4-hydroxy-4-keto-butanoyl)imino-xanthen-9-yl]-6-hydroxy-benzoic acid Formula: C24H19N3O7 MolecularWeight: 461.42356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)O)C(=O)O)C2=C3C=CC(=NC(=O)C(CC(=O)O)N)C=C3OC4=C2C=CC(=C4)N

Isomeric SMILES

C1=CC(=C(C(=C1)O)C(=O)O)C2=C3C=CC(=NC(=O)C(CC(=O)O)N)C=C3OC4=C2C=CC(=C4)N

InChI

InChI=1S/C24H19N3O7/c25-11-4-6-13-18(8-11)34-19-9-12(27-23(31)16(26)10-20(29)30)5-7-14(19)21(13)15-2-1-3-17(28)22(15)24(32)33/h1-9,16,28H,10,25-26H2,(H,29,30)(H,32,33)