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

Systemtic Name: 8-[[4-[(4-nitro-2-sulfo-phenyl)carbonylamino]-2-sulfo-phenyl]carbonylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[[4-[(4-nitro-2-sulfo-benzoyl)amino]-2-sulfo-benzoyl]amino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[[[4-[[(4-nitro-2-sulfophenyl)-oxomethyl]amino]-2-sulfophenyl]-oxomethyl]amino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[[4-[(4-nitro-2-sulfobenzoyl)amino]-2-sulfobenzoyl]amino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[[4-[(4-nitro-2-sulfo-benzoyl)amino]-2-sulfo-benzoyl]amino]naphthalene-1,3,6-trisulfonic acid Formula: C24H17N3O19S5 MolecularWeight: 811.72548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O)C(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O)C(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H17N3O19S5/c28-23(17-4-2-13(27(30)31)8-20(17)50(41,42)43)25-12-1-3-16(19(7-12)49(38,39)40)24(29)26-18-9-14(47(32,33)34)5-11-6-15(48(35,36)37)10-21(22(11)18)51(44,45)46/h1-10H,(H,25,28)(H,26,29)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)