2-[(1,5-disulfonaphthalen-2-yl)carbamoylamino]naphthalene-1,5-disulfonic acid

Systemtic Name: 2-[(1,5-disulfonaphthalen-2-yl)carbamoylamino]naphthalene-1,5-disulfonic acid Openeye Name: 2-[(1,5-disulfo-2-naphthyl)carbamoylamino]naphthalene-1,5-disulfonic acid CAS Name: 2-[[[(1,5-disulfo-2-naphthalenyl)amino]-oxomethyl]amino]naphthalene-1,5-disulfonic acid IUPAC Name: 2-[(1,5-disulfonaphthalen-2-yl)carbamoylamino]naphthalene-1,5-disulfonic acid Traditional Name: 2-[(1,5-disulfo-2-naphthyl)carbamoylamino]naphthalene-1,5-disulfonic acid Formula: C21H16N2O13S4 MolecularWeight: 632.61734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2S(=O)(=O)O)NC(=O)NC3=C(C4=C(C=C3)C(=CC=C4)S(=O)(=O)O)S(=O)(=O)O)C(=C1)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2S(=O)(=O)O)NC(=O)NC3=C(C4=C(C=C3)C(=CC=C4)S(=O)(=O)O)S(=O)(=O)O)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C21H16N2O13S4/c24-21(22-15-9-7-11-13(19(15)39(31,32)33)3-1-5-17(11)37(25,26)27)23-16-10-8-12-14(20(16)40(34,35)36)4-2-6-18(12)38(28,29)30/h1-10H,(H2,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)