ethanoic acid; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole

Systemtic Name: ethanoic acid; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole Openeye Name: acetic acid; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole CAS Name: acetic acid; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole IUPAC Name: acetic acid; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole Traditional Name: acetic acid; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole Formula: C20H32O5S MolecularWeight: 384.53008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2.CC(=O)O

Isomeric SMILES

CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2.CC(=O)O

InChI

InChI=1S/C18H28O3S.C2H4O2/c1-3-4-5-6-7-8-11-22(19)15(2)12-16-9-10-17-18(13-16)21-14-20-17;1-2(3)4/h9-10,13,15H,3-8,11-12,14H2,1-2H3;1H3,(H,3,4)