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

Systemtic Name: 6-[[3,5-bis[(5-sulfonaphthalen-2-yl)carbamoyl]phenyl]carbonylamino]naphthalene-1-sulfonic acid Openeye Name: 6-[[3,5-bis[(5-sulfo-2-naphthyl)carbamoyl]benzoyl]amino]naphthalene-1-sulfonic acid CAS Name: 6-[[[3,5-bis[oxo-[(5-sulfo-2-naphthalenyl)amino]methyl]phenyl]-oxomethyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 6-[[3,5-bis[(5-sulfonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1-sulfonic acid Traditional Name: 6-[[3,5-bis[(5-sulfo-2-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=CC(=C2)NC(=O)C3=CC(=CC(=C3)C(=O)NC4=CC5=C(C=C4)C(=CC=C5)S(=O)(=O)O)C(=O)NC6=CC7=C(C=C6)C(=CC=C7)S(=O)(=O)O)C(=C1)S(=O)(=O)O

Isomeric SMILES

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

InChI

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