sodium 1-azanyl-4-[[4-(carboxymethyl)phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-4-[[4-(carboxymethyl)phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-[4-(carboxymethyl)anilino]-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-[4-(carboxymethyl)anilino]-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-[4-(carboxymethyl)anilino]-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-[4-(carboxymethyl)anilino]-9,10-diketo-anthracene-2-sulfonate Formula: C22H15N2NaO7S MolecularWeight: 474.41847

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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(C=C4)CC(=O)O)S(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)CC(=O)O)S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C22H16N2O7S.Na/c23-20-16(32(29,30)31)10-15(24-12-7-5-11(6-8-12)9-17(25)26)18-19(20)22(28)14-4-2-1-3-13(14)21(18)27;/h1-8,10,24H,9,23H2,(H,25,26)(H,29,30,31);/q;+1/p-1