5-[[4-(2-bromanylprop-2-enoylamino)-2-(4-methyl-3-sulfo-phenyl)sulfonyl-phenyl]diazenyl]naphthalene-2-sulfonic acid

Systemtic Name: 5-[[4-(2-bromanylprop-2-enoylamino)-2-(4-methyl-3-sulfo-phenyl)sulfonyl-phenyl]diazenyl]naphthalene-2-sulfonic acid Openeye Name: 5-[4-(2-bromoprop-2-enoylamino)-2-(4-methyl-3-sulfo-phenyl)sulfonyl-phenyl]azonaphthalene-2-sulfonic acid CAS Name: 5-[4-[(2-bromo-1-oxoprop-2-enyl)amino]-2-(4-methyl-3-sulfophenyl)sulfonylphenyl]azo-2-naphthalenesulfonic acid IUPAC Name: 5-[[4-(2-bromoprop-2-enoylamino)-2-(4-methyl-3-sulfophenyl)sulfonylphenyl]diazenyl]naphthalene-2-sulfonic acid Traditional Name: 5-[4-[(2-bromoacryloyl)amino]-2-(4-methyl-3-sulfo-phenyl)sulfonyl-phenyl]azonaphthalene-2-sulfonic acid Formula: C26H20BrN3O9S3 MolecularWeight: 694.5507

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C(=C)Br)N=NC3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C(=C)Br)N=NC3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C26H20BrN3O9S3/c1-15-6-8-19(14-24(15)42(37,38)39)40(32,33)25-13-18(28-26(31)16(2)27)7-11-23(25)30-29-22-5-3-4-17-12-20(41(34,35)36)9-10-21(17)22/h3-14H,2H2,1H3,(H,28,31)(H,34,35,36)(H,37,38,39)