6-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfo-anthracen-1-yl]amino]naphthalene-2-carboxylic acid

Systemtic Name: 6-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfo-anthracen-1-yl]amino]naphthalene-2-carboxylic acid Openeye Name: 6-[(4-amino-9,10-dioxo-3-sulfo-1-anthryl)amino]naphthalene-2-carboxylic acid CAS Name: 6-[(4-amino-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-2-naphthalenecarboxylic acid IUPAC Name: 6-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]naphthalene-2-carboxylic acid Traditional Name: 6-[(4-amino-9,10-diketo-3-sulfo-1-anthryl)amino]-2-naphthoic acid Formula: C25H16N2O7S MolecularWeight: 488.46874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC5=C(C=C4)C=C(C=C5)C(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC5=C(C=C4)C=C(C=C5)C(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C25H16N2O7S/c26-22-19(35(32,33)34)11-18(20-21(22)24(29)17-4-2-1-3-16(17)23(20)28)27-15-8-7-12-9-14(25(30)31)6-5-13(12)10-15/h1-11,27H,26H2,(H,30,31)(H,32,33,34)