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

Systemtic Name: 5-[[3-(2-naphthalen-2-yloxyethanoylamino)-5-[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 5-[[3-[[2-(2-naphthyloxy)acetyl]amino]-5-[(6-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 5-[[[3-[[2-(2-naphthalenyloxy)-1-oxoethyl]amino]-5-[oxo-[(6-sulfo-1-naphthalenyl)amino]methyl]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 5-[[3-[(2-naphthalen-2-yloxyacetyl)amino]-5-[(6-sulfonaphthalen-1-yl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 5-[[3-[[2-(2-naphthoxy)acetyl]amino]-5-[(6-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Formula: C40H29N3O10S2 MolecularWeight: 775.80236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)OCC(=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=C(C=CC2=C1)OCC(=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/C40H29N3O10S2/c44-38(23-53-31-12-11-24-5-1-2-6-25(24)20-31)41-30-18-28(39(45)42-36-9-3-7-26-21-32(54(47,48)49)13-15-34(26)36)17-29(19-30)40(46)43-37-10-4-8-27-22-33(55(50,51)52)14-16-35(27)37/h1-22H,23H2,(H,41,44)(H,42,45)(H,43,46)(H,47,48,49)(H,50,51,52)