8-[(3,6,8-trisulfonaphthalen-1-yl)carbamoylamino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 8-[(3,6,8-trisulfonaphthalen-1-yl)carbamoylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[(3,6,8-trisulfo-1-naphthyl)carbamoylamino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[[oxo-[(3,6,8-trisulfo-1-naphthalenyl)amino]methyl]amino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[(3,6,8-trisulfonaphthalen-1-yl)carbamoylamino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[(3,6,8-trisulfo-1-naphthyl)carbamoylamino]naphthalene-1,3,6-trisulfonic acid Formula: C21H16N2O19S6 MolecularWeight: 792.74374

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)NC(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)NC(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C21H16N2O19S6/c24-21(22-15-5-11(43(25,26)27)1-9-3-13(45(31,32)33)7-17(19(9)15)47(37,38)39)23-16-6-12(44(28,29)30)2-10-4-14(46(34,35)36)8-18(20(10)16)48(40,41)42/h1-8H,(H2,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)