trisodium 2,3-bis(2-phenylpropyl)-2-sulfonato-butanedioate

Systemtic Name: trisodium 2,3-bis(2-phenylpropyl)-2-sulfonato-butanedioate Openeye Name: trisodium 2,3-bis(2-phenylpropyl)-2-sulfonato-butanedioate CAS Name: trisodium 2,3-bis(2-phenylpropyl)-2-sulfonatobutanedioate IUPAC Name: trisodium 2,3-bis(2-phenylpropyl)-2-sulfonatobutanedioate Traditional Name: trisodium 2,3-bis(2-phenylpropyl)-2-sulfonato-succinate Formula: C22H23Na3O7S MolecularWeight: 500.44813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)[O-])C(CC(C)C1=CC=CC=C1)(C(=O)[O-])S(=O)(=O)[O-])C2=CC=CC=C2.[Na+].[Na+].[Na+]

Isomeric SMILES

CC(CC(C(=O)[O-])C(CC(C)C1=CC=CC=C1)(C(=O)[O-])S(=O)(=O)[O-])C2=CC=CC=C2.[Na+].[Na+].[Na+]

InChI

InChI=1S/C22H26O7S.3Na/c1-15(17-9-5-3-6-10-17)13-19(20(23)24)22(21(25)26,30(27,28)29)14-16(2)18-11-7-4-8-12-18;;;/h3-12,15-16,19H,13-14H2,1-2H3,(H,23,24)(H,25,26)(H,27,28,29);;;/q;3*+1/p-3