sodium 1-azanyl-9,10-bis(oxidanylidene)-4-[[3-(propan-2-ylcarbamoyl)phenyl]amino]anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-9,10-bis(oxidanylidene)-4-[[3-(propan-2-ylcarbamoyl)phenyl]amino]anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-[3-(isopropylcarbamoyl)anilino]-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-9,10-dioxo-4-[3-[oxo-(propan-2-ylamino)methyl]anilino]-2-anthracenesulfonate IUPAC Name: sodium 1-amino-9,10-dioxo-4-[3-(propan-2-ylcarbamoyl)anilino]anthracene-2-sulfonate Traditional Name: sodium 1-amino-4-[3-(isopropylcarbamoyl)anilino]-9,10-diketo-anthracene-2-sulfonate Formula: C24H20N3NaO6S MolecularWeight: 501.48687

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O6S.Na/c1-12(2)26-24(30)13-6-5-7-14(10-13)27-17-11-18(34(31,32)33)21(25)20-19(17)22(28)15-8-3-4-9-16(15)23(20)29;/h3-12,27H,25H2,1-2H3,(H,26,30)(H,31,32,33);/q;+1/p-1