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

Systemtic Name: 8-[[3-[(4-azanyl-2-sulfo-phenyl)carbonylamino]phenyl]methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[[3-[(4-amino-2-sulfo-benzoyl)amino]phenyl]methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[[3-[[(4-amino-2-sulfophenyl)-oxomethyl]amino]phenyl]methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[[3-[(4-amino-2-sulfobenzoyl)amino]phenyl]methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[[3-[(4-amino-2-sulfo-benzoyl)amino]benzyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid Formula: C24H21N3O15S5 MolecularWeight: 751.75964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=C(C=C(C=C2)N)S(=O)(=O)O)CS(=O)(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=C(C=C(C=C2)N)S(=O)(=O)O)CS(=O)(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H21N3O15S5/c25-15-4-5-19(21(9-15)46(37,38)39)24(28)26-16-3-1-2-13(6-16)12-43(29,30)27-20-10-17(44(31,32)33)7-14-8-18(45(34,35)36)11-22(23(14)20)47(40,41)42/h1-11,27H,12,25H2,(H,26,28)(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)