8-[[4-[(4-azanyl-2-sulfo-phenyl)carbonylamino]-2-sulfo-phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 8-[[4-[(4-azanyl-2-sulfo-phenyl)carbonylamino]-2-sulfo-phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 8-[[4-[(4-amino-2-sulfo-benzoyl)amino]-2-sulfo-benzoyl]amino]naphthalene-1,3,5-trisulfonic acid CAS Name: 8-[[[4-[[(4-amino-2-sulfophenyl)-oxomethyl]amino]-2-sulfophenyl]-oxomethyl]amino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 8-[[4-[(4-amino-2-sulfobenzoyl)amino]-2-sulfobenzoyl]amino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 8-[[4-[(4-amino-2-sulfo-benzoyl)amino]-2-sulfo-benzoyl]amino]naphthalene-1,3,5-trisulfonic acid Formula: C24H19N3O17S5 MolecularWeight: 781.74256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)O)C(=O)NC2=CC(=C(C=C2)C(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)O)C(=O)NC2=CC(=C(C=C2)C(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H19N3O17S5/c25-11-1-3-14(19(7-11)47(36,37)38)23(28)26-12-2-4-15(20(8-12)48(39,40)41)24(29)27-17-5-6-18(46(33,34)35)16-9-13(45(30,31)32)10-21(22(16)17)49(42,43)44/h1-10H,25H2,(H,26,28)(H,27,29)(H,30,31,32)(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)