sodium 7-[(6,8-disulfonaphthalen-2-yl)carbamoylamino]naphthalene-1,3-disulfonic acid

Systemtic Name: sodium 7-[(6,8-disulfonaphthalen-2-yl)carbamoylamino]naphthalene-1,3-disulfonic acid Openeye Name: sodium 7-[(6,8-disulfo-2-naphthyl)carbamoylamino]naphthalene-1,3-disulfonic acid CAS Name: sodium 7-[[[(6,8-disulfo-2-naphthalenyl)amino]-oxomethyl]amino]naphthalene-1,3-disulfonic acid IUPAC Name: sodium 7-[(6,8-disulfonaphthalen-2-yl)carbamoylamino]naphthalene-1,3-disulfonic acid Traditional Name: sodium 7-[(6,8-disulfo-2-naphthyl)carbamoylamino]naphthalene-1,3-disulfonic acid Formula: C21H16N2NaO13S4+ MolecularWeight: 655.60711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)O)NC(=O)NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)O)NC(=O)NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C21H16N2O13S4.Na/c24-21(22-13-3-1-11-5-15(37(25,26)27)9-19(17(11)7-13)39(31,32)33)23-14-4-2-12-6-16(38(28,29)30)10-20(18(12)8-14)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);/q;+1