1-(1-sulfoheptoxy)heptane-1-sulfonic acid

Systemtic Name: 1-(1-sulfoheptoxy)heptane-1-sulfonic acid Openeye Name: 1-(1-sulfoheptoxy)heptane-1-sulfonic acid CAS Name: 1-(1-sulfoheptoxy)-1-heptanesulfonic acid IUPAC Name: 1-(1-sulfoheptoxy)heptane-1-sulfonic acid Traditional Name: 1-(1-sulfoheptoxy)heptane-1-sulfonic acid Formula: C14H30O7S2 MolecularWeight: 374.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(OC(CCCCCC)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCC(OC(CCCCCC)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H30O7S2/c1-3-5-7-9-11-13(22(15,16)17)21-14(23(18,19)20)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3,(H,15,16,17)(H,18,19,20)