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

Systemtic Name: 8-[[3,5-bis[(8-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-1-sulfonic acid Openeye Name: 8-[[3,5-bis[(8-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-1-sulfonic acid CAS Name: 8-[[[3,5-bis[oxo-[(8-sulfo-1-naphthalenyl)amino]methyl]phenyl]-oxomethyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 8-[[3,5-bis[(8-sulfonaphthalen-1-yl)carbamoyl]benzoyl]amino]naphthalene-1-sulfonic acid Traditional Name: 8-[[3,5-bis[(8-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-1-sulfonic acid Formula: C39H27N3O12S3 MolecularWeight: 825.83958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=O)C3=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)C(=CC=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=O)C3=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)C(=CC=C2)S(=O)(=O)O

InChI

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