2,3-bis(2-ethyl-4-oxidanylidene-3-propyl-hex-5-enyl)-2-sulfo-butanedioate

Systemtic Name: 2,3-bis(2-ethyl-4-oxidanylidene-3-propyl-hex-5-enyl)-2-sulfo-butanedioate Openeye Name: 2,3-bis(2-ethyl-4-oxo-3-propyl-hex-5-enyl)-2-sulfo-butanedioate CAS Name: 2,3-bis(2-ethyl-4-oxo-3-propylhex-5-enyl)-2-sulfobutanedioate IUPAC Name: 2,3-bis(2-ethyl-4-oxo-3-propylhex-5-enyl)-2-sulfobutanedioate Traditional Name: 2,3-bis(2-ethyl-4-keto-3-propyl-hex-5-enyl)-2-sulfo-succinate Formula: C26H40O9S-2 MolecularWeight: 528.6554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)CC(C(=O)[O-])C(CC(CC)C(CCC)C(=O)C=C)(C(=O)[O-])S(=O)(=O)O)C(=O)C=C

Isomeric SMILES

CCCC(C(CC)CC(C(=O)[O-])C(CC(CC)C(CCC)C(=O)C=C)(C(=O)[O-])S(=O)(=O)O)C(=O)C=C

InChI

InChI=1S/C26H42O9S/c1-7-13-19(22(27)11-5)17(9-3)15-21(24(29)30)26(25(31)32,36(33,34)35)16-18(10-4)20(14-8-2)23(28)12-6/h11-12,17-21H,5-10,13-16H2,1-4H3,(H,29,30)(H,31,32)(H,33,34,35)/p-2