6-[[3-[(5,7-disulfonaphthalen-2-yl)carbamoyl]phenyl]carbonylamino]naphthalene-1,3-disulfonic acid

Systemtic Name: 6-[[3-[(5,7-disulfonaphthalen-2-yl)carbamoyl]phenyl]carbonylamino]naphthalene-1,3-disulfonic acid Openeye Name: 6-[[3-[(5,7-disulfo-2-naphthyl)carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonic acid CAS Name: 6-[[[3-[[(5,7-disulfo-2-naphthalenyl)amino]-oxomethyl]phenyl]-oxomethyl]amino]naphthalene-1,3-disulfonic acid IUPAC Name: 6-[[3-[(5,7-disulfonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonic acid Traditional Name: 6-[[3-[(5,7-disulfo-2-naphthyl)carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonic acid Formula: C28H20N2O14S4 MolecularWeight: 736.7234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)NC2=CC3=CC(=CC(=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)C(=O)NC4=CC5=CC(=CC(=C5C=C4)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)NC2=CC3=CC(=CC(=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)C(=O)NC4=CC5=CC(=CC(=C5C=C4)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C28H20N2O14S4/c31-27(29-19-4-6-23-17(9-19)11-21(45(33,34)35)13-25(23)47(39,40)41)15-2-1-3-16(8-15)28(32)30-20-5-7-24-18(10-20)12-22(46(36,37)38)14-26(24)48(42,43)44/h1-14H,(H,29,31)(H,30,32)(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)