6-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-dithian-2-yl]-3H-1,2-benzodioxole

Systemtic Name: 6-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-dithian-2-yl]-3H-1,2-benzodioxole Openeye Name: 6-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-dithian-2-yl]-3H-1,2-benzodioxole CAS Name: 6-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-dithian-2-yl]-3H-1,2-benzodioxole IUPAC Name: 6-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-dithian-2-yl]-3H-1,2-benzodioxole Traditional Name: 6-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-dithian-2-yl]-3H-1,2-benzodioxole Formula: C21H28O2S2 MolecularWeight: 376.57582

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCC1(SCCCS1)C2=CC3=C(COO3)C=C2)C)C

Isomeric SMILES

CC(=CCC/C(=C/CC1(SCCCS1)C2=CC3=C(COO3)C=C2)/C)C

InChI

InChI=1S/C21H28O2S2/c1-16(2)6-4-7-17(3)10-11-21(24-12-5-13-25-21)19-9-8-18-15-22-23-20(18)14-19/h6,8-10,14H,4-5,7,11-13,15H2,1-3H3/b17-10+