4-[(3,7-disulfonaphthalen-1-yl)carbamoylamino]naphthalene-2,6-disulfonic acid

Systemtic Name: 4-[(3,7-disulfonaphthalen-1-yl)carbamoylamino]naphthalene-2,6-disulfonic acid Openeye Name: 4-[(3,7-disulfo-1-naphthyl)carbamoylamino]naphthalene-2,6-disulfonic acid CAS Name: 4-[[[(3,7-disulfo-1-naphthalenyl)amino]-oxomethyl]amino]naphthalene-2,6-disulfonic acid IUPAC Name: 4-[(3,7-disulfonaphthalen-1-yl)carbamoylamino]naphthalene-2,6-disulfonic acid Traditional Name: 4-[(3,7-disulfo-1-naphthyl)carbamoylamino]naphthalene-2,6-disulfonic acid Formula: C21H16N2O13S4 MolecularWeight: 632.61734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)NC(=O)NC3=C4C=C(C=CC4=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)NC(=O)NC3=C4C=C(C=CC4=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

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