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

Systemtic Name: 8-[(3,8-disulfonaphthalen-1-yl)carbamoylamino]naphthalene-1,6-disulfonic acid Openeye Name: 8-[(3,8-disulfo-1-naphthyl)carbamoylamino]naphthalene-1,6-disulfonic acid CAS Name: 8-[[[(3,8-disulfo-1-naphthalenyl)amino]-oxomethyl]amino]naphthalene-1,6-disulfonic acid IUPAC Name: 8-[(3,8-disulfonaphthalen-1-yl)carbamoylamino]naphthalene-1,6-disulfonic acid Traditional Name: 8-[(3,8-disulfo-1-naphthyl)carbamoylamino]naphthalene-1,6-disulfonic acid Formula: C21H16N2O13S4 MolecularWeight: 632.61734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC(=C2C(=C1)S(=O)(=O)O)NC(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=CC=C4S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=CC(=CC(=C2C(=C1)S(=O)(=O)O)NC(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=CC=C4S(=O)(=O)O)S(=O)(=O)O

InChI

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