7-[(4,6,8-trisulfonaphthalen-2-yl)carbamoylamino]naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 7-[(4,6,8-trisulfonaphthalen-2-yl)carbamoylamino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 7-[(4,6,8-trisulfo-2-naphthyl)carbamoylamino]naphthalene-1,3,5-trisulfonic acid CAS Name: 7-[[oxo-[(4,6,8-trisulfo-2-naphthalenyl)amino]methyl]amino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 7-[(4,6,8-trisulfonaphthalen-2-yl)carbamoylamino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 7-[(4,6,8-trisulfo-2-naphthyl)carbamoylamino]naphthalene-1,3,5-trisulfonic acid Formula: C21H16N2O19S6 MolecularWeight: 792.74374

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=CC(=CC2=C1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)NC3=CC(=C4C=C(C=C(C4=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=C(C=C2C(=CC(=CC2=C1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)NC3=CC(=C4C=C(C=C(C4=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

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