4-[2-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]benzenesulfonic acid

Systemtic Name: 4-[2-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]benzenesulfonic acid Openeye Name: 4-[2-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]benzenesulfonic acid CAS Name: 4-[2-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]benzenesulfonic acid IUPAC Name: 4-[2-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]benzenesulfonic acid Traditional Name: 4-[2-(2,2-dimethyl-5-methylol-1,3-dioxolan-4-yl)ethyl]besylic acid Formula: C14H20O6S MolecularWeight: 316.37

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(C(O1)CO)CCC2=CC=C(C=C2)S(=O)(=O)O)C

Isomeric SMILES

CC1(OC(C(O1)CO)CCC2=CC=C(C=C2)S(=O)(=O)O)C

InChI

InChI=1S/C14H20O6S/c1-14(2)19-12(13(9-15)20-14)8-5-10-3-6-11(7-4-10)21(16,17)18/h3-4,6-7,12-13,15H,5,8-9H2,1-2H3,(H,16,17,18)