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

Systemtic Name: 2-[[3,5-bis[(1-sulfonaphthalen-2-yl)carbamoyl]phenyl]carbonylamino]naphthalene-1-sulfonic acid Openeye Name: 2-[[3,5-bis[(1-sulfo-2-naphthyl)carbamoyl]benzoyl]amino]naphthalene-1-sulfonic acid CAS Name: 2-[[[3,5-bis[oxo-[(1-sulfo-2-naphthalenyl)amino]methyl]phenyl]-oxomethyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 2-[[3,5-bis[(1-sulfonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1-sulfonic acid Traditional Name: 2-[[3,5-bis[(1-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=CC=C2C(=C1)C=CC(=C2S(=O)(=O)O)NC(=O)C3=CC(=CC(=C3)C(=O)NC4=C(C5=CC=CC=C5C=C4)S(=O)(=O)O)C(=O)NC6=C(C7=CC=CC=C7C=C6)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)O)NC(=O)C3=CC(=CC(=C3)C(=O)NC4=C(C5=CC=CC=C5C=C4)S(=O)(=O)O)C(=O)NC6=C(C7=CC=CC=C7C=C6)S(=O)(=O)O

InChI

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