sodium; 5-[[3-[[3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1,2,4-trisulfonic acid

Systemtic Name: sodium; 5-[[3-[[3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1,2,4-trisulfonic acid Openeye Name: sodium; 5-[[3-[[3-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1,2,4-trisulfonic acid CAS Name: 5-[[oxo-[3-[[oxo-[3-[oxo-[(4,6,8-trisulfo-1-naphthalenyl)amino]methyl]anilino]methyl]amino]phenyl]methyl]amino]naphthalene-1,2,4-trisulfonic acid; sodium IUPAC Name: sodium; 5-[[3-[[3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1,2,4-trisulfonic acid Traditional Name: sodium; 5-[[3-[[3-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1,2,4-trisulfonic acid Formula: C35H26N4NaO21S6 MolecularWeight: 1053.97491

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC4=C3C(=CC(=C4S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)NC5=C6C(=CC(=CC6=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC4=C3C(=CC(=C4S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)NC5=C6C(=CC(=CC6=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na]

InChI

InChI=1S/C35H26N4O21S6.Na/c40-33(38-24-9-3-8-22-30(24)28(64(52,53)54)16-29(65(55,56)57)32(22)66(58,59)60)17-4-1-6-19(12-17)36-35(42)37-20-7-2-5-18(13-20)34(41)39-25-10-11-26(62(46,47)48)23-14-21(61(43,44)45)15-27(31(23)25)63(49,50)51;/h1-16H,(H,38,40)(H,39,41)(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);