2-[3,6-diacetyloxy-4,5-bis(azanyl)-9H-xanthen-9-yl]benzoate

Systemtic Name: 2-[3,6-diacetyloxy-4,5-bis(azanyl)-9H-xanthen-9-yl]benzoate Openeye Name: 2-(3,6-diacetoxy-4,5-diamino-9H-xanthen-9-yl)benzoate CAS Name: 2-(3,6-diacetyloxy-4,5-diamino-9H-xanthen-9-yl)benzoate IUPAC Name: 2-(3,6-diacetyloxy-4,5-diamino-9H-xanthen-9-yl)benzoate Traditional Name: 2-(3,6-diacetoxy-4,5-diamino-9H-xanthen-9-yl)benzoate Formula: C24H19N2O7- MolecularWeight: 447.41686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2=C(C=C1)C(C3=C(O2)C(=C(C=C3)OC(=O)C)N)C4=CC=CC=C4C(=O)[O-])N

Isomeric SMILES

CC(=O)OC1=C(C2=C(C=C1)C(C3=C(O2)C(=C(C=C3)OC(=O)C)N)C4=CC=CC=C4C(=O)[O-])N

InChI

InChI=1S/C24H20N2O7/c1-11(27)31-17-9-7-15-19(13-5-3-4-6-14(13)24(29)30)16-8-10-18(32-12(2)28)21(26)23(16)33-22(15)20(17)25/h3-10,19H,25-26H2,1-2H3,(H,29,30)/p-1