8-[[3-[(4-azanyl-2-sulfo-phenyl)carbonylamino]-4-methyl-phenyl]carbonylamino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 8-[[3-[(4-azanyl-2-sulfo-phenyl)carbonylamino]-4-methyl-phenyl]carbonylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[[3-[(4-amino-2-sulfo-benzoyl)amino]-4-methyl-benzoyl]amino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[[[3-[[(4-amino-2-sulfophenyl)-oxomethyl]amino]-4-methylphenyl]-oxomethyl]amino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[[3-[(4-amino-2-sulfobenzoyl)amino]-4-methylbenzoyl]amino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[[3-[(4-amino-2-sulfo-benzoyl)amino]-4-methyl-benzoyl]amino]naphthalene-1,3,6-trisulfonic acid Formula: C25H21N3O14S4 MolecularWeight: 715.70594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=C(C=C(C=C4)N)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=C(C=C(C=C4)N)S(=O)(=O)O

InChI

InChI=1S/C25H21N3O14S4/c1-12-2-3-13(8-19(12)27-25(30)18-5-4-15(26)9-21(18)45(37,38)39)24(29)28-20-10-16(43(31,32)33)6-14-7-17(44(34,35)36)11-22(23(14)20)46(40,41)42/h2-11H,26H2,1H3,(H,27,30)(H,28,29)(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)