4-[[3-(2-methylprop-2-enoylamino)phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 4-[[3-(2-methylprop-2-enoylamino)phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 4-[3-(2-methylprop-2-enoylamino)anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 4-[3-[(2-methyl-1-oxoprop-2-enyl)amino]anilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 4-[3-(2-methylprop-2-enoylamino)anilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 9,10-diketo-4-(3-methacrylamidoanilino)anthracene-2-sulfonic acid Formula: C24H18N2O6S MolecularWeight: 462.47452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)NC1=CC=CC(=C1)NC2=C3C(=CC(=C2)S(=O)(=O)O)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(=C)C(=O)NC1=CC=CC(=C1)NC2=C3C(=CC(=C2)S(=O)(=O)O)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H18N2O6S/c1-13(2)24(29)26-15-7-5-6-14(10-15)25-20-12-16(33(30,31)32)11-19-21(20)23(28)18-9-4-3-8-17(18)22(19)27/h3-12,25H,1H2,2H3,(H,26,29)(H,30,31,32)