2-[4-[(E)-2-[4-[2,4-bis(oxidanylidene)pentan-3-yldiazenyl]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]benzo[e]benzotriazole-5-sulfonic acid

Systemtic Name: 2-[4-[(E)-2-[4-[2,4-bis(oxidanylidene)pentan-3-yldiazenyl]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]benzo[e]benzotriazole-5-sulfonic acid Openeye Name: 2-[4-[(E)-2-[4-(1-acetyl-2-oxo-propyl)azo-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]benzo[e]benzotriazole-5-sulfonic acid CAS Name: 2-[4-[(E)-2-[4-(2,4-dioxopentan-3-ylazo)-2-sulfophenyl]ethenyl]-3-sulfophenyl]-5-benzo[e]benzotriazolesulfonic acid IUPAC Name: 2-[4-[(E)-2-[4-(2,4-dioxopentan-3-yldiazenyl)-2-sulfophenyl]ethenyl]-3-sulfophenyl]benzo[e]benzotriazole-5-sulfonic acid Traditional Name: 2-[4-[(E)-2-[4-(1-acetyl-2-keto-propyl)azo-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]benzo[e]benzotriazole-5-sulfonic acid Formula: C29H23N5O11S3 MolecularWeight: 713.71482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)N=NC1=CC(=C(C=C1)C=CC2=C(C=C(C=C2)N3N=C4C=C(C5=CC=CC=C5C4=N3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)C(C(=O)C)N=NC1=CC(=C(C=C1)/C=C/C2=C(C=C(C=C2)N3N=C4C=C(C5=CC=CC=C5C4=N3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C29H23N5O11S3/c1-16(35)28(17(2)36)31-30-20-11-9-18(25(13-20)46(37,38)39)7-8-19-10-12-21(14-26(19)47(40,41)42)34-32-24-15-27(48(43,44)45)22-5-3-4-6-23(22)29(24)33-34/h3-15,28H,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)/b8-7+,31-30?