1-azanyl-9,10-bis(oxidanylidene)-4-[[4-(prop-1-en-2-ylamino)phenyl]amino]anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-9,10-bis(oxidanylidene)-4-[[4-(prop-1-en-2-ylamino)phenyl]amino]anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[4-(isopropenylamino)anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[4-(1-methylethenylamino)anilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-9,10-dioxo-4-[4-(prop-1-en-2-ylamino)anilino]anthracene-2-sulfonic acid Traditional Name: 1-amino-4-[4-(isopropenylamino)anilino]-9,10-diketo-anthracene-2-sulfonic acid Formula: C23H19N3O5S MolecularWeight: 449.47906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O5S/c1-12(2)25-13-7-9-14(10-8-13)26-17-11-18(32(29,30)31)21(24)20-19(17)22(27)15-5-3-4-6-16(15)23(20)28/h3-11,25-26H,1,24H2,2H3,(H,29,30,31)