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

Systemtic Name: 5-[[3-(naphthalen-1-ylsulfonylamino)-5-[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 5-[[3-(1-naphthylsulfonylamino)-5-[(6-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 5-[[[3-(1-naphthalenylsulfonylamino)-5-[oxo-[(6-sulfo-1-naphthalenyl)amino]methyl]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 5-[[3-(naphthalen-1-ylsulfonylamino)-5-[(6-sulfonaphthalen-1-yl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 5-[[3-(1-naphthylsulfonylamino)-5-[(6-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Formula: C38H27N3O10S3 MolecularWeight: 781.83008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2S(=O)(=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(=C1)C=CC=C2S(=O)(=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/C38H27N3O10S3/c42-37(39-34-11-3-8-24-21-29(53(46,47)48)14-16-31(24)34)26-18-27(38(43)40-35-12-4-9-25-22-30(54(49,50)51)15-17-32(25)35)20-28(19-26)41-52(44,45)36-13-5-7-23-6-1-2-10-33(23)36/h1-22,41H,(H,39,42)(H,40,43)(H,46,47,48)(H,49,50,51)