4-[3-(1,3-dioxolan-2-yl)-3-sulfanyl-propyl]benzoic acid

Systemtic Name: 4-[3-(1,3-dioxolan-2-yl)-3-sulfanyl-propyl]benzoic acid Openeye Name: 4-[3-(1,3-dioxolan-2-yl)-3-sulfanyl-propyl]benzoic acid CAS Name: 4-[3-(1,3-dioxolan-2-yl)-3-mercaptopropyl]benzoic acid IUPAC Name: 4-[3-(1,3-dioxolan-2-yl)-3-sulfanylpropyl]benzoic acid Traditional Name: 4-[3-(1,3-dioxolan-2-yl)-3-mercapto-propyl]benzoic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)C(CCC2=CC=C(C=C2)C(=O)O)S

Isomeric SMILES

C1COC(O1)C(CCC2=CC=C(C=C2)C(=O)O)S

InChI

InChI=1S/C13H16O4S/c14-12(15)10-4-1-9(2-5-10)3-6-11(18)13-16-7-8-17-13/h1-2,4-5,11,13,18H,3,6-8H2,(H,14,15)