5-[[3-(naphthalen-1-ylcarbonylamino)-5-[(6-sulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonate

Systemtic Name: 5-[[3-(naphthalen-1-ylcarbonylamino)-5-[(6-sulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonate Openeye Name: 5-[[3-(naphthalene-1-carbonylamino)-5-[(6-sulfonato-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonate CAS Name: 5-[[[3-[[1-naphthalenyl(oxo)methyl]amino]-5-[oxo-[(6-sulfonato-1-naphthalenyl)amino]methyl]phenyl]-oxomethyl]amino]-2-naphthalenesulfonate IUPAC Name: 5-[[3-(naphthalene-1-carbonylamino)-5-[(6-sulfonatonaphthalen-1-yl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonate Traditional Name: 5-[[3-(1-naphthoylamino)-5-[(6-sulfonato-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonate Formula: C39H25N3O9S2-2 MolecularWeight: 743.7605

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=CC(=CC(=C3)C(=O)NC4=CC=CC5=C4C=CC(=C5)S(=O)(=O)[O-])C(=O)NC6=CC=CC7=C6C=CC(=C7)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=CC(=CC(=C3)C(=O)NC4=CC=CC5=C4C=CC(=C5)S(=O)(=O)[O-])C(=O)NC6=CC=CC7=C6C=CC(=C7)S(=O)(=O)[O-]

InChI

InChI=1S/C39H27N3O9S2/c43-37(41-35-12-4-8-24-21-29(52(46,47)48)14-16-32(24)35)26-18-27(20-28(19-26)40-39(45)34-11-3-7-23-6-1-2-10-31(23)34)38(44)42-36-13-5-9-25-22-30(53(49,50)51)15-17-33(25)36/h1-22H,(H,40,45)(H,41,43)(H,42,44)(H,46,47,48)(H,49,50,51)/p-2