sodium; 3-[3-[4-(diethylamino)phenyl]benzene-4-id-1-yl]oxypropane-1-sulfonic acid; methane

Systemtic Name: sodium; 3-[3-[4-(diethylamino)phenyl]benzene-4-id-1-yl]oxypropane-1-sulfonic acid; methane Openeye Name: sodium; 3-[3-[4-(diethylamino)phenyl]benzene-4-id-1-yl]oxypropane-1-sulfonic acid; methane CAS Name: sodium; 3-[[3-[4-(diethylamino)phenyl]-1-benzene-4-idyl]oxy]-1-propanesulfonic acid; methane IUPAC Name: sodium; 3-[3-[4-(diethylamino)phenyl]benzene-4-id-1-yl]oxypropane-1-sulfonic acid; methane Traditional Name: sodium; 3-[3-[4-(diethylamino)phenyl]benzene-4-id-1-yl]oxypropane-1-sulfonic acid; methane Formula: C20H28NNaO4S MolecularWeight: 401.49539

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Descriptors Computed from Structure

Canonical SMILES:

C.CCN(CC)C1=CC=C(C=C1)C2=CC(=CC=[C-]2)OCCCS(=O)(=O)O.[Na+]

Isomeric SMILES

C.CCN(CC)C1=CC=C(C=C1)C2=CC(=CC=[C-]2)OCCCS(=O)(=O)O.[Na+]

InChI

InChI=1S/C19H24NO4S.CH4.Na/c1-3-20(4-2)18-11-9-16(10-12-18)17-7-5-8-19(15-17)24-13-6-14-25(21,22)23;;/h5,8-12,15H,3-4,6,13-14H2,1-2H3,(H,21,22,23);1H4;/q-1;;+1