1-octoxyoctane; 2-sulfobutanedioate

Systemtic Name: 1-octoxyoctane; 2-sulfobutanedioate Openeye Name: 1-octoxyoctane; 2-sulfobutanedioate CAS Name: 1-octoxyoctane; 2-sulfobutanedioate IUPAC Name: 1-octoxyoctane; 2-sulfobutanedioate Traditional Name: 1-octoxyoctane; 2-sulfosuccinate Formula: C20H38O8S-2 MolecularWeight: 438.57592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCCCCCCCC.C(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCOCCCCCCCC.C(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-]

InChI

InChI=1S/C16H34O.C4H6O7S/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;5-3(6)1-2(4(7)8)12(9,10)11/h3-16H2,1-2H3;2H,1H2,(H,5,6)(H,7,8)(H,9,10,11)/p-2