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

Systemtic Name: 6-[[3,5-bis[(6-sulfonaphthalen-2-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 6-[[3,5-bis[(6-sulfo-2-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 6-[[[3,5-bis[oxo-[(6-sulfo-2-naphthalenyl)amino]methyl]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 6-[[3,5-bis[(6-sulfonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 6-[[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=C1NC(=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=C1NC(=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(40-31-7-1-25-19-34(55(46,47)48)10-4-22(25)16-31)28-13-29(38(44)41-32-8-2-26-20-35(56(49,50)51)11-5-23(26)17-32)15-30(14-28)39(45)42-33-9-3-27-21-36(57(52,53)54)12-6-24(27)18-33/h1-21H,(H,40,43)(H,41,44)(H,42,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)