8-[[3,5-bis[(7-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid

Systemtic Name: 8-[[3,5-bis[(7-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 8-[[3,5-bis[(7-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 8-[[[3,5-bis[oxo-[(7-sulfo-1-naphthalenyl)amino]methyl]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 8-[[3,5-bis[(7-sulfonaphthalen-1-yl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 8-[[3,5-bis[(7-sulfo-1-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=C(C=C2)S(=O)(=O)O)C(=C1)NC(=O)C3=CC(=CC(=C3)C(=O)NC4=CC=CC5=C4C=C(C=C5)S(=O)(=O)O)C(=O)NC6=CC=CC7=C6C=C(C=C7)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2)S(=O)(=O)O)C(=C1)NC(=O)C3=CC(=CC(=C3)C(=O)NC4=CC=CC5=C4C=C(C=C5)S(=O)(=O)O)C(=O)NC6=CC=CC7=C6C=C(C=C7)S(=O)(=O)O

InChI

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