2,3-bis(6-methylheptyl)-2-sulfonato-butanedioate; cobalt(2+)

Systemtic Name: 2,3-bis(6-methylheptyl)-2-sulfonato-butanedioate; cobalt(2+) Openeye Name: tricobaltous 2,3-bis(6-methylheptyl)-2-sulfonato-butanedioate CAS Name: 2,3-bis(6-methylheptyl)-2-sulfonatobutanedioate; cobalt(2+) IUPAC Name: 2,3-bis(6-methylheptyl)-2-sulfonatobutanedioate; cobalt(2+) Traditional Name: tricobaltous 2,3-bis(6-methylheptyl)-2-sulfonato-succinate Formula: C40H70Co3O14S2 MolecularWeight: 1015.905

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC(C(=O)[O-])C(CCCCCC(C)C)(C(=O)[O-])S(=O)(=O)[O-].CC(C)CCCCCC(C(=O)[O-])C(CCCCCC(C)C)(C(=O)[O-])S(=O)(=O)[O-].[Co+2].[Co+2].[Co+2]

Isomeric SMILES

CC(C)CCCCCC(C(=O)[O-])C(CCCCCC(C)C)(C(=O)[O-])S(=O)(=O)[O-].CC(C)CCCCCC(C(=O)[O-])C(CCCCCC(C)C)(C(=O)[O-])S(=O)(=O)[O-].[Co+2].[Co+2].[Co+2]

InChI

InChI=1S/2C20H38O7S.3Co/c2*1-15(2)11-7-5-9-13-17(18(21)22)20(19(23)24,28(25,26)27)14-10-6-8-12-16(3)4;;;/h2*15-17H,5-14H2,1-4H3,(H,21,22)(H,23,24)(H,25,26,27);;;/q;;3*+2/p-6