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

Systemtic Name: 2,3-bis(2-ethyl-4-oxidanylidene-3-propyl-hex-5-enyl)-2-sulfo-butanedioic acid Openeye Name: 2,3-bis(2-ethyl-4-oxo-3-propyl-hex-5-enyl)-2-sulfo-butanedioic acid CAS Name: 2,3-bis(2-ethyl-4-oxo-3-propylhex-5-enyl)-2-sulfobutanedioic acid IUPAC Name: 2,3-bis(2-ethyl-4-oxo-3-propylhex-5-enyl)-2-sulfobutanedioic acid Traditional Name: 2,3-bis(2-ethyl-4-keto-3-propyl-hex-5-enyl)-2-sulfo-succinic acid Formula: C26H42O9S MolecularWeight: 530.67128

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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)