3-[[7-[(4,8-disulfonaphthalen-2-yl)carbamoyl]naphthalen-2-yl]carbonylamino]naphthalene-1,5-disulfonic acid

Systemtic Name: 3-[[7-[(4,8-disulfonaphthalen-2-yl)carbamoyl]naphthalen-2-yl]carbonylamino]naphthalene-1,5-disulfonic acid Openeye Name: 3-[[7-[(4,8-disulfo-2-naphthyl)carbamoyl]naphthalene-2-carbonyl]amino]naphthalene-1,5-disulfonic acid CAS Name: 3-[[[7-[[(4,8-disulfo-2-naphthalenyl)amino]-oxomethyl]-2-naphthalenyl]-oxomethyl]amino]naphthalene-1,5-disulfonic acid IUPAC Name: 3-[[7-[(4,8-disulfonaphthalen-2-yl)carbamoyl]naphthalene-2-carbonyl]amino]naphthalene-1,5-disulfonic acid Traditional Name: 3-[[7-[(4,8-disulfo-2-naphthyl)carbamoyl]-2-naphthoyl]amino]naphthalene-1,5-disulfonic acid Formula: C32H22N2O14S4 MolecularWeight: 786.78208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)O)NC(=O)C3=CC4=C(C=C3)C=CC(=C4)C(=O)NC5=CC(=C6C=CC=C(C6=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)O)NC(=O)C3=CC4=C(C=C3)C=CC(=C4)C(=O)NC5=CC(=C6C=CC=C(C6=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C32H22N2O14S4/c35-31(33-21-13-25-23(29(15-21)51(43,44)45)3-1-5-27(25)49(37,38)39)18-9-7-17-8-10-19(12-20(17)11-18)32(36)34-22-14-26-24(30(16-22)52(46,47)48)4-2-6-28(26)50(40,41)42/h1-16H,(H,33,35)(H,34,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)