8-[[3-[(3-aminophenyl)carbonylamino]-4-methyl-phenyl]carbonylamino]-5-sulfinooxy-naphthalene-1,3-disulfonic acid

Systemtic Name: 8-[[3-[(3-aminophenyl)carbonylamino]-4-methyl-phenyl]carbonylamino]-5-sulfinooxy-naphthalene-1,3-disulfonic acid Openeye Name: 8-[[3-[(3-aminobenzoyl)amino]-4-methyl-benzoyl]amino]-5-sulfinooxy-naphthalene-1,3-disulfonic acid CAS Name: 8-[[[3-[[(3-aminophenyl)-oxomethyl]amino]-4-methylphenyl]-oxomethyl]amino]-5-sulfinooxynaphthalene-1,3-disulfonic acid IUPAC Name: 8-[[3-[(3-aminobenzoyl)amino]-4-methylbenzoyl]amino]-5-sulfinooxynaphthalene-1,3-disulfonic acid Traditional Name: 8-[[3-[(3-aminobenzoyl)amino]-4-methyl-benzoyl]amino]-5-sulfinooxy-naphthalene-1,3-disulfonic acid Formula: C25H21N3O11S3 MolecularWeight: 635.64274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)OS(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)OS(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)N

InChI

InChI=1S/C25H21N3O11S3/c1-13-5-6-15(10-20(13)28-24(29)14-3-2-4-16(26)9-14)25(30)27-19-7-8-21(39-40(31)32)18-11-17(41(33,34)35)12-22(23(18)19)42(36,37)38/h2-12H,26H2,1H3,(H,27,30)(H,28,29)(H,31,32)(H,33,34,35)(H,36,37,38)