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

Systemtic Name: disodium 1-azanyl-4-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfonato-anthracen-1-yl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: disodium 1-amino-4-[(4-amino-9,10-dioxo-3-sulfonato-1-anthryl)amino]-9,10-dioxo-anthracene-2-sulfonate CAS Name: disodium 1-amino-4-[(4-amino-9,10-dioxo-3-sulfonato-1-anthracenyl)amino]-9,10-dioxo-2-anthracenesulfonate IUPAC Name: disodium 1-amino-4-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-9,10-dioxoanthracene-2-sulfonate Traditional Name: disodium 1-amino-4-[(4-amino-9,10-diketo-3-sulfonato-1-anthryl)amino]-9,10-diketo-anthracene-2-sulfonate Formula: C28H15N3Na2O10S2 MolecularWeight: 663.54234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]

InChI

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