8-[[3-[(3-nitrophenyl)methylsulfonylamino]phenyl]methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 8-[[3-[(3-nitrophenyl)methylsulfonylamino]phenyl]methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[[3-[(3-nitrophenyl)methylsulfonylamino]phenyl]methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[[3-[(3-nitrophenyl)methylsulfonylamino]phenyl]methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[[3-[(3-nitrophenyl)methylsulfonylamino]phenyl]methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[[3-[(3-nitrobenzyl)sulfonylamino]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)NS(=O)(=O)CC2=CC(=CC=C2)[N+](=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)NS(=O)(=O)CC2=CC(=CC=C2)[N+](=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/c28-27(29)19-6-2-4-16(8-19)14-43(30,31)25-18-5-1-3-15(7-18)13-44(32,33)26-22-11-20(45(34,35)36)9-17-10-21(46(37,38)39)12-23(24(17)22)47(40,41)42/h1-12,25-26H,13-14H2,(H,34,35,36)(H,37,38,39)(H,40,41,42)