3-ethyl-6-[5-ethyl-5-(hydroxymethyl)heptoxy]heptane-2-sulfonic acid

Systemtic Name: 3-ethyl-6-[5-ethyl-5-(hydroxymethyl)heptoxy]heptane-2-sulfonic acid Openeye Name: 3-ethyl-6-[5-ethyl-5-(hydroxymethyl)heptoxy]heptane-2-sulfonic acid CAS Name: 3-ethyl-6-[5-ethyl-5-(hydroxymethyl)heptoxy]-2-heptanesulfonic acid IUPAC Name: 3-ethyl-6-[5-ethyl-5-(hydroxymethyl)heptoxy]heptane-2-sulfonic acid Traditional Name: 3-ethyl-6-(5-ethyl-5-methylol-heptoxy)heptane-2-sulfonic acid Formula: C19H40O5S MolecularWeight: 380.5829

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C)OCCCCC(CC)(CC)CO)C(C)S(=O)(=O)O

Isomeric SMILES

CCC(CCC(C)OCCCCC(CC)(CC)CO)C(C)S(=O)(=O)O

InChI

InChI=1S/C19H40O5S/c1-6-18(17(5)25(21,22)23)12-11-16(4)24-14-10-9-13-19(7-2,8-3)15-20/h16-18,20H,6-15H2,1-5H3,(H,21,22,23)