5-[[3-(naphthalen-2-ylcarbonylamino)-5-[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid

Systemtic Name: 5-[[3-(naphthalen-2-ylcarbonylamino)-5-[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 5-[[3-(naphthalene-2-carbonylamino)-5-[(6-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 5-[[[3-[[2-naphthalenyl(oxo)methyl]amino]-5-[oxo-[(6-sulfo-1-naphthalenyl)amino]methyl]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 5-[[3-(naphthalene-2-carbonylamino)-5-[(6-sulfonaphthalen-1-yl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 5-[[3-(2-naphthoylamino)-5-[(6-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Formula: C39H27N3O9S2 MolecularWeight: 745.77638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=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=C(C=CC2=C1)C(=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(27-12-11-23-5-1-2-6-24(23)17-27)40-30-19-28(38(44)41-35-9-3-7-25-21-31(52(46,47)48)13-15-33(25)35)18-29(20-30)39(45)42-36-10-4-8-26-22-32(53(49,50)51)14-16-34(26)36/h1-22H,(H,40,43)(H,41,44)(H,42,45)(H,46,47,48)(H,49,50,51)