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

Systemtic Name: 5-[[3-(naphthalen-1-ylcarbonylamino)-5-[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 5-[[3-(naphthalene-1-carbonylamino)-5-[(6-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 5-[[[3-[[1-naphthalenyl(oxo)methyl]amino]-5-[oxo-[(6-sulfo-1-naphthalenyl)amino]methyl]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 5-[[3-(naphthalene-1-carbonylamino)-5-[(6-sulfonaphthalen-1-yl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 5-[[3-(1-naphthoylamino)-5-[(6-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Formula: C39H27N3O9S2 MolecularWeight: 745.77638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=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=C2C(=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/C39H27N3O9S2/c43-37(41-35-12-4-8-24-21-29(52(46,47)48)14-16-32(24)35)26-18-27(20-28(19-26)40-39(45)34-11-3-7-23-6-1-2-10-31(23)34)38(44)42-36-13-5-9-25-22-30(53(49,50)51)15-17-33(25)36/h1-22H,(H,40,45)(H,41,43)(H,42,44)(H,46,47,48)(H,49,50,51)