methanethiol; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole

Systemtic Name: methanethiol; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole Openeye Name: methanethiol; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole CAS Name: methanethiol; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole IUPAC Name: methanethiol; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole Traditional Name: methanethiol; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole Formula: C19H32O3S2 MolecularWeight: 372.58558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28O3S.CH4S/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/h9-10,13,15H,3-8,11-12,14H2,1-2H3;2H,1H3