2,2-diheptyl-3-sulfo-butanedioate

Systemtic Name: 2,2-diheptyl-3-sulfo-butanedioate Openeye Name: 2,2-diheptyl-3-sulfo-butanedioate CAS Name: 2,2-diheptyl-3-sulfobutanedioate IUPAC Name: 2,2-diheptyl-3-sulfobutanedioate Traditional Name: 2,2-diheptyl-3-sulfo-succinate Formula: C18H32O7S-2 MolecularWeight: 392.50748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCCCCCC)(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCC(CCCCCCC)(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-]

InChI

InChI=1S/C18H34O7S/c1-3-5-7-9-11-13-18(17(21)22,14-12-10-8-6-4-2)15(16(19)20)26(23,24)25/h15H,3-14H2,1-2H3,(H,19,20)(H,21,22)(H,23,24,25)/p-2