calcium; 2-sulfobutanedioate; tetradecane

Systemtic Name: calcium; 2-sulfobutanedioate; tetradecane Openeye Name: calcium; 2-sulfobutanedioate; tetradecane CAS Name: calcium; 2-sulfobutanedioate; tetradecane IUPAC Name: calcium; 2-sulfobutanedioate; tetradecane Traditional Name: calcium; 2-sulfosuccinate; tetradecane Formula: C32H62CaO7S-2 MolecularWeight: 630.97348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC[CH2-].CCCCCCCCCCCCC[CH2-].C(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCC[CH2-].CCCCCCCCCCCCC[CH2-].C(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C14H29.C4H6O7S.Ca/c2*1-3-5-7-9-11-13-14-12-10-8-6-4-2;5-3(6)1-2(4(7)8)12(9,10)11;/h2*1,3-14H2,2H3;2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);/q2*-1;;+2/p-2