sodium 1-azanyl-4-benzamido-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-4-benzamido-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-benzamido-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-benzamido-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-benzamido-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-benzamido-9,10-diketo-anthracene-2-sulfonate Formula: C21H13N2NaO6S MolecularWeight: 444.39249

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N2O6S.Na/c22-18-15(30(27,28)29)10-14(23-21(26)11-6-2-1-3-7-11)16-17(18)20(25)13-9-5-4-8-12(13)19(16)24;/h1-10H,22H2,(H,23,26)(H,27,28,29);/q;+1/p-1