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

Systemtic Name: 5-[[3-(furan-2-ylcarbonylamino)-5-[(6-sulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonate Openeye Name: 5-[[3-(furan-2-carbonylamino)-5-[(6-sulfonato-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonate CAS Name: 5-[[[3-[[2-furanyl(oxo)methyl]amino]-5-[oxo-[(6-sulfonato-1-naphthalenyl)amino]methyl]phenyl]-oxomethyl]amino]-2-naphthalenesulfonate IUPAC Name: 5-[[3-(furan-2-carbonylamino)-5-[(6-sulfonatonaphthalen-1-yl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonate Traditional Name: 5-[[3-(2-furoylamino)-5-[(6-sulfonato-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonate Formula: C33H21N3O10S2-2 MolecularWeight: 683.66394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C(=C1)NC(=O)C3=CC(=CC(=C3)NC(=O)C4=CC=CO4)C(=O)NC5=CC=CC6=C5C=CC(=C6)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C(=C1)NC(=O)C3=CC(=CC(=C3)NC(=O)C4=CC=CO4)C(=O)NC5=CC=CC6=C5C=CC(=C6)S(=O)(=O)[O-]

InChI

InChI=1S/C33H23N3O10S2/c37-31(35-28-6-1-4-19-17-24(47(40,41)42)9-11-26(19)28)21-14-22(16-23(15-21)34-33(39)30-8-3-13-46-30)32(38)36-29-7-2-5-20-18-25(48(43,44)45)10-12-27(20)29/h1-18H,(H,34,39)(H,35,37)(H,36,38)(H,40,41,42)(H,43,44,45)/p-2