disodium 1-azanyl-4-[[4-(methylaminomethyl)-2-sulfonato-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: disodium 1-azanyl-4-[[4-(methylaminomethyl)-2-sulfonato-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: disodium 1-amino-4-[4-(methylaminomethyl)-2-sulfonato-anilino]-9,10-dioxo-anthracene-2-sulfonate CAS Name: disodium 1-amino-4-[4-(methylaminomethyl)-2-sulfonatoanilino]-9,10-dioxo-2-anthracenesulfonate IUPAC Name: disodium 1-amino-4-[4-(methylaminomethyl)-2-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate Traditional Name: disodium 1-amino-9,10-diketo-4-[4-(methylaminomethyl)-2-sulfonato-anilino]anthracene-2-sulfonate Formula: C22H17N3Na2O8S2 MolecularWeight: 561.49522

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CNCC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C22H19N3O8S2.2Na/c1-24-10-11-6-7-14(16(8-11)34(28,29)30)25-15-9-17(35(31,32)33)20(23)19-18(15)21(26)12-4-2-3-5-13(12)22(19)27;;/h2-9,24-25H,10,23H2,1H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2