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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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