5,8-bis(1,3-benzoxazol-2-yl)naphthalene-2-sulfonate; dimethylazanium

Systemtic Name: 5,8-bis(1,3-benzoxazol-2-yl)naphthalene-2-sulfonate; dimethylazanium Openeye Name: 5,8-bis(1,3-benzoxazol-2-yl)naphthalene-2-sulfonate; dimethylammonium CAS Name: 5,8-bis(1,3-benzoxazol-2-yl)-2-naphthalenesulfonate; dimethylammonium IUPAC Name: 5,8-bis(1,3-benzoxazol-2-yl)naphthalene-2-sulfonate; dimethylazanium Traditional Name: 5,8-bis(1,3-benzoxazol-2-yl)naphthalene-2-sulfonate; dimethylammonium Formula: C26H21N3O5S MolecularWeight: 487.52704

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C.C1=CC=C2C(=C1)N=C(O2)C3=C4C=CC(=CC4=C(C=C3)C5=NC6=CC=CC=C6O5)S(=O)(=O)[O-]

Isomeric SMILES

C[NH2+]C.C1=CC=C2C(=C1)N=C(O2)C3=C4C=CC(=CC4=C(C=C3)C5=NC6=CC=CC=C6O5)S(=O)(=O)[O-]

InChI

InChI=1S/C24H14N2O5S.C2H7N/c27-32(28,29)14-9-10-15-16(23-25-19-5-1-3-7-21(19)30-23)11-12-17(18(15)13-14)24-26-20-6-2-4-8-22(20)31-24;1-3-2/h1-13H,(H,27,28,29);3H,1-2H3