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

Systemtic Name: 4-[[3-[(4,8-disulfonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-1,5-disulfonic acid Openeye Name: 4-[[3-[(4,8-disulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-1,5-disulfonic acid CAS Name: 4-[[[3-[[(4,8-disulfo-1-naphthalenyl)amino]-oxomethyl]phenyl]-oxomethyl]amino]naphthalene-1,5-disulfonic acid IUPAC Name: 4-[[3-[(4,8-disulfonaphthalen-1-yl)carbamoyl]benzoyl]amino]naphthalene-1,5-disulfonic acid Traditional Name: 4-[[3-[(4,8-disulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-1,5-disulfonic acid Formula: C28H20N2O14S4 MolecularWeight: 736.7234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)NC2=C3C(=C(C=C2)S(=O)(=O)O)C=CC=C3S(=O)(=O)O)C(=O)NC4=C5C(=C(C=C4)S(=O)(=O)O)C=CC=C5S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)NC2=C3C(=C(C=C2)S(=O)(=O)O)C=CC=C3S(=O)(=O)O)C(=O)NC4=C5C(=C(C=C4)S(=O)(=O)O)C=CC=C5S(=O)(=O)O

InChI

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