1-azanyl-4-[[4-(methylaminomethyl)-2-sulfo-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2,6-disulfonic acid

Systemtic Name: 1-azanyl-4-[[4-(methylaminomethyl)-2-sulfo-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2,6-disulfonic acid Openeye Name: 1-amino-4-[4-(methylaminomethyl)-2-sulfo-anilino]-9,10-dioxo-anthracene-2,6-disulfonic acid CAS Name: 1-amino-4-[4-(methylaminomethyl)-2-sulfoanilino]-9,10-dioxoanthracene-2,6-disulfonic acid IUPAC Name: 1-amino-4-[4-(methylaminomethyl)-2-sulfoanilino]-9,10-dioxoanthracene-2,6-disulfonic acid Traditional Name: 1-amino-9,10-diketo-4-[4-(methylaminomethyl)-2-sulfo-anilino]anthracene-2,6-disulfonic acid Formula: C22H19N3O11S3 MolecularWeight: 597.59476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=CC(=C4)S(=O)(=O)O)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CNCC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=CC(=C4)S(=O)(=O)O)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H19N3O11S3/c1-24-9-10-2-5-14(16(6-10)38(31,32)33)25-15-8-17(39(34,35)36)20(23)19-18(15)22(27)13-7-11(37(28,29)30)3-4-12(13)21(19)26/h2-8,24-25H,9,23H2,1H3,(H,28,29,30)(H,31,32,33)(H,34,35,36)