8-[[3-[(3-aminophenyl)carbonylamino]-4-methoxy-phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 8-[[3-[(3-aminophenyl)carbonylamino]-4-methoxy-phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 8-[[3-[(3-aminobenzoyl)amino]-4-methoxy-benzoyl]amino]naphthalene-1,3,5-trisulfonic acid CAS Name: 8-[[[3-[[(3-aminophenyl)-oxomethyl]amino]-4-methoxyphenyl]-oxomethyl]amino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 8-[[3-[(3-aminobenzoyl)amino]-4-methoxybenzoyl]amino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 8-[[3-[(3-aminobenzoyl)amino]-4-methoxy-benzoyl]amino]naphthalene-1,3,5-trisulfonic acid Formula: C25H21N3O12S3 MolecularWeight: 651.64214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)N

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)N

InChI

InChI=1S/C25H21N3O12S3/c1-40-20-7-5-14(10-19(20)28-24(29)13-3-2-4-15(26)9-13)25(30)27-18-6-8-21(42(34,35)36)17-11-16(41(31,32)33)12-22(23(17)18)43(37,38)39/h2-12H,26H2,1H3,(H,27,30)(H,28,29)(H,31,32,33)(H,34,35,36)(H,37,38,39)