5-(2-octylsulfinylpropyl)-1,3-benzodioxole; 2-(phenylsulfinyl)cyclopent-3-en-1-ol

Systemtic Name: 5-(2-octylsulfinylpropyl)-1,3-benzodioxole; 2-(phenylsulfinyl)cyclopent-3-en-1-ol Openeye Name: 2-(benzenesulfinyl)cyclopent-3-en-1-ol; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole CAS Name: 2-(benzenesulfinyl)-1-cyclopent-3-enol; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole IUPAC Name: 2-(benzenesulfinyl)cyclopent-3-en-1-ol; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole Traditional Name: 2-(benzenesulfinyl)cyclopent-3-en-1-ol; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole Formula: C29H40O5S2 MolecularWeight: 532.7549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2.C1C=CC(C1O)S(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2.C1C=CC(C1O)S(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H28O3S.C11H12O2S/c1-3-4-5-6-7-8-11-22(19)15(2)12-16-9-10-17-18(13-16)21-14-20-17;12-10-7-4-8-11(10)14(13)9-5-2-1-3-6-9/h9-10,13,15H,3-8,11-12,14H2,1-2H3;1-6,8,10-12H,7H2