6-azanyl-2-(2,4-dimethylphenyl)-1,3-bis(oxidanylidene)benzo[de]isoquinoline-5-sulfonic acid

Systemtic Name: 6-azanyl-2-(2,4-dimethylphenyl)-1,3-bis(oxidanylidene)benzo[de]isoquinoline-5-sulfonic acid Openeye Name: 6-amino-2-(2,4-dimethylphenyl)-1,3-dioxo-benzo[de]isoquinoline-5-sulfonic acid CAS Name: 6-amino-2-(2,4-dimethylphenyl)-1,3-dioxo-5-benzo[de]isoquinolinesulfonic acid IUPAC Name: 6-amino-2-(2,4-dimethylphenyl)-1,3-dioxobenzo[de]isoquinoline-5-sulfonic acid Traditional Name: 6-amino-2-(2,4-dimethylphenyl)-1,3-diketo-benzo[de]isoquinoline-5-sulfonic acid Formula: C20H16N2O5S MolecularWeight: 396.41644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4N)S(=O)(=O)O)C2=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4N)S(=O)(=O)O)C2=O)C

InChI

InChI=1S/C20H16N2O5S/c1-10-6-7-15(11(2)8-10)22-19(23)13-5-3-4-12-17(13)14(20(22)24)9-16(18(12)21)28(25,26)27/h3-9H,21H2,1-2H3,(H,25,26,27)