4-[6-(1,3-benzodioxol-5-yl)-7-cyclooctyl-1,5-dioxocan-2-yl]-2-methoxy-phenol

Systemtic Name: 4-[6-(1,3-benzodioxol-5-yl)-7-cyclooctyl-1,5-dioxocan-2-yl]-2-methoxy-phenol Openeye Name: 4-[6-(1,3-benzodioxol-5-yl)-7-cyclooctyl-1,5-dioxocan-2-yl]-2-methoxy-phenol CAS Name: 4-[6-(1,3-benzodioxol-5-yl)-7-cyclooctyl-1,5-dioxocan-2-yl]-2-methoxyphenol IUPAC Name: 4-[6-(1,3-benzodioxol-5-yl)-7-cyclooctyl-1,5-dioxocan-2-yl]-2-methoxyphenol Traditional Name: 4-[6-(1,3-benzodioxol-5-yl)-7-cyclooctyl-1,5-dioxocan-2-yl]-2-methoxy-phenol Formula: C28H36O6 MolecularWeight: 468.58184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2CCOC(C(CO2)C3CCCCCCC3)C4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2CCOC(C(CO2)C3CCCCCCC3)C4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C28H36O6/c1-30-26-15-20(9-11-23(26)29)24-13-14-31-28(21-10-12-25-27(16-21)34-18-33-25)22(17-32-24)19-7-5-3-2-4-6-8-19/h9-12,15-16,19,22,24,28-29H,2-8,13-14,17-18H2,1H3