5-[[3,5-bis[(6-sulfonaphthalen-2-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid

Systemtic Name: 5-[[3,5-bis[(6-sulfonaphthalen-2-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 5-[[3,5-bis[(6-sulfo-2-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 5-[[[3,5-bis[oxo-[(6-sulfo-2-naphthalenyl)amino]methyl]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 5-[[3,5-bis[(6-sulfonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 5-[[3,5-bis[(6-sulfo-2-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Formula: C39H27N3O12S3 MolecularWeight: 825.83958

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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)C(=O)NC4=CC5=C(C=C4)C=C(C=C5)S(=O)(=O)O)C(=O)NC6=CC7=C(C=C6)C=C(C=C7)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)NC(=O)C3=CC(=CC(=C3)C(=O)NC4=CC5=C(C=C4)C=C(C=C5)S(=O)(=O)O)C(=O)NC6=CC7=C(C=C6)C=C(C=C7)S(=O)(=O)O

InChI

InChI=1S/C39H27N3O12S3/c43-37(40-30-8-4-24-19-32(55(46,47)48)10-6-22(24)17-30)27-14-28(38(44)41-31-9-5-25-20-33(56(49,50)51)11-7-23(25)18-31)16-29(15-27)39(45)42-36-3-1-2-26-21-34(57(52,53)54)12-13-35(26)36/h1-21H,(H,40,43)(H,41,44)(H,42,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)