1-[2-(acetyloxymethyl)phenyl]-5,5-diethoxy-pentane-1-sulfonic acid

Systemtic Name: 1-[2-(acetyloxymethyl)phenyl]-5,5-diethoxy-pentane-1-sulfonic acid Openeye Name: 1-[2-(acetoxymethyl)phenyl]-5,5-diethoxy-pentane-1-sulfonic acid CAS Name: 1-[2-(acetyloxymethyl)phenyl]-5,5-diethoxy-1-pentanesulfonic acid IUPAC Name: 1-[2-(acetyloxymethyl)phenyl]-5,5-diethoxypentane-1-sulfonic acid Traditional Name: 1-[2-(acetoxymethyl)phenyl]-5,5-diethoxy-pentane-1-sulfonic acid Formula: C18H28O7S MolecularWeight: 388.47572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCCC(C1=CC=CC=C1COC(=O)C)S(=O)(=O)O)OCC

Isomeric SMILES

CCOC(CCCC(C1=CC=CC=C1COC(=O)C)S(=O)(=O)O)OCC

InChI

InChI=1S/C18H28O7S/c1-4-23-18(24-5-2)12-8-11-17(26(20,21)22)16-10-7-6-9-15(16)13-25-14(3)19/h6-7,9-10,17-18H,4-5,8,11-13H2,1-3H3,(H,20,21,22)