8-[[4-[4-[(3,6,8-trisulfonaphthalen-1-yl)sulfamoyl]phenyl]phenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 8-[[4-[4-[(3,6,8-trisulfonaphthalen-1-yl)sulfamoyl]phenyl]phenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[[4-[4-[(3,6,8-trisulfo-1-naphthyl)sulfamoyl]phenyl]phenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[[4-[4-[(3,6,8-trisulfo-1-naphthalenyl)sulfamoyl]phenyl]phenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[[4-[4-[(3,6,8-trisulfonaphthalen-1-yl)sulfamoyl]phenyl]phenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[[4-[4-[(3,6,8-trisulfo-1-naphthyl)sulfamoyl]phenyl]phenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid Formula: C32H24N2O22S8 MolecularWeight: 1045.05316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)NC5=C6C(=CC(=C5)S(=O)(=O)O)C=C(C=C6S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)NC5=C6C(=CC(=C5)S(=O)(=O)O)C=C(C=C6S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C32H24N2O22S8/c35-57(36,33-27-13-23(59(39,40)41)9-19-11-25(61(45,46)47)15-29(31(19)27)63(51,52)53)21-5-1-17(2-6-21)18-3-7-22(8-4-18)58(37,38)34-28-14-24(60(42,43)44)10-20-12-26(62(48,49)50)16-30(32(20)28)64(54,55)56/h1-16,33-34H,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)