sodium; 2,3-bis[4-(diethylamino)phenyl]benzene-6-ide-1-sulfonic acid; methane

Systemtic Name: sodium; 2,3-bis[4-(diethylamino)phenyl]benzene-6-ide-1-sulfonic acid; methane Openeye Name: sodium; 2,3-bis[4-(diethylamino)phenyl]benzene-6-ide-1-sulfonic acid; methane CAS Name: sodium; 2,3-bis[4-(diethylamino)phenyl]-1-benzene-6-idesulfonic acid; methane IUPAC Name: sodium; 2,3-bis[4-(diethylamino)phenyl]benzene-6-ide-1-sulfonic acid; methane Traditional Name: sodium; 2,3-bis[4-(diethylamino)phenyl]benzene-6-ide-1-sulfonic acid; methane Formula: C27H35N2NaO3S MolecularWeight: 490.63317

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Descriptors Computed from Structure

Canonical SMILES:

C.CCN(CC)C1=CC=C(C=C1)C2=CC=[C-]C(=C2C3=CC=C(C=C3)N(CC)CC)S(=O)(=O)O.[Na+]

Isomeric SMILES

C.CCN(CC)C1=CC=C(C=C1)C2=CC=[C-]C(=C2C3=CC=C(C=C3)N(CC)CC)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C26H31N2O3S.CH4.Na/c1-5-27(6-2)22-16-12-20(13-17-22)24-10-9-11-25(32(29,30)31)26(24)21-14-18-23(19-15-21)28(7-3)8-4;;/h9-10,12-19H,5-8H2,1-4H3,(H,29,30,31);1H4;/q-1;;+1