5-formamidonaphthalene-2-sulfonic acid; 5-[[3-(2-naphthalen-2-yloxyethanoylamino)phenyl]carbonylamino]naphthalene-2-sulfonic acid

Systemtic Name: 5-formamidonaphthalene-2-sulfonic acid; 5-[[3-(2-naphthalen-2-yloxyethanoylamino)phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 5-formamidonaphthalene-2-sulfonic acid; 5-[[3-[[2-(2-naphthyloxy)acetyl]amino]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 5-formamido-2-naphthalenesulfonic acid; 5-[[[3-[[2-(2-naphthalenyloxy)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 5-formamidonaphthalene-2-sulfonic acid; 5-[[3-[(2-naphthalen-2-yloxyacetyl)amino]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 5-formamidonaphthalene-2-sulfonic acid; 5-[[3-[[2-(2-naphthoxy)acetyl]amino]benzoyl]amino]naphthalene-2-sulfonic acid Formula: C40H31N3O10S2 MolecularWeight: 777.81824

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

InChI

InChI=1S/C29H22N2O6S.C11H9NO4S/c32-28(18-37-24-12-11-19-5-1-2-6-20(19)16-24)30-23-9-3-8-22(15-23)29(33)31-27-10-4-7-21-17-25(38(34,35)36)13-14-26(21)27;13-7-12-11-3-1-2-8-6-9(17(14,15)16)4-5-10(8)11/h1-17H,18H2,(H,30,32)(H,31,33)(H,34,35,36);1-7H,(H,12,13)(H,14,15,16)