4-azanyl-1-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfonato-anthracen-1-yl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: 4-azanyl-1-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfonato-anthracen-1-yl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: 4-amino-1-[(4-amino-9,10-dioxo-3-sulfonato-1-anthryl)amino]-9,10-dioxo-anthracene-2-sulfonate CAS Name: 4-amino-1-[(4-amino-9,10-dioxo-3-sulfonato-1-anthracenyl)amino]-9,10-dioxo-2-anthracenesulfonate IUPAC Name: 4-amino-1-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-9,10-dioxoanthracene-2-sulfonate Traditional Name: 4-amino-1-[(4-amino-9,10-diketo-3-sulfonato-1-anthryl)amino]-9,10-diketo-anthracene-2-sulfonate Formula: C28H15N3O10S2-2 MolecularWeight: 617.5628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3N)S(=O)(=O)[O-])NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3N)S(=O)(=O)[O-])NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)[O-]

InChI

InChI=1S/C28H17N3O10S2/c29-15-9-18(43(39,40)41)24(22-19(15)25(32)11-5-1-4-8-14(11)28(22)35)31-16-10-17(42(36,37)38)23(30)21-20(16)26(33)12-6-2-3-7-13(12)27(21)34/h1-10,31H,29-30H2,(H,36,37,38)(H,39,40,41)/p-2