1-azanyl-4-[[4-methyl-3-(propanoylamino)phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[[4-methyl-3-(propanoylamino)phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[4-methyl-3-(propanoylamino)anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[4-methyl-3-(1-oxopropylamino)anilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[4-methyl-3-(propanoylamino)anilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-(4-methyl-3-propionamido-anilino)anthracene-2-sulfonic acid Formula: C24H21N3O6S MolecularWeight: 479.50504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)C

InChI

InChI=1S/C24H21N3O6S/c1-3-19(28)27-16-10-13(9-8-12(16)2)26-17-11-18(34(31,32)33)22(25)21-20(17)23(29)14-6-4-5-7-15(14)24(21)30/h4-11,26H,3,25H2,1-2H3,(H,27,28)(H,31,32,33)