1-(3-methoxyphenyl)-16-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]hexadecan-2-one

Systemtic Name: 1-(3-methoxyphenyl)-16-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]hexadecan-2-one Openeye Name: 1-(3-methoxyphenyl)-16-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]hexadecan-2-one CAS Name: 1-(3-methoxyphenyl)-16-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]-2-hexadecanone IUPAC Name: 1-(3-methoxyphenyl)-16-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]hexadecan-2-one Traditional Name: 16-[6-(4-mesylphenyl)-1,3-benzodioxol-5-yl]-1-(3-methoxyphenyl)hexadecan-2-one Formula: C37H48O6S MolecularWeight: 620.83842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(=O)CCCCCCCCCCCCCCC2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)C)OCO3

Isomeric SMILES

COC1=CC=CC(=C1)CC(=O)CCCCCCCCCCCCCCC2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)C)OCO3

InChI

InChI=1S/C37H48O6S/c1-41-33-19-15-16-29(25-33)24-32(38)18-14-12-10-8-6-4-3-5-7-9-11-13-17-31-26-36-37(43-28-42-36)27-35(31)30-20-22-34(23-21-30)44(2,39)40/h15-16,19-23,25-27H,3-14,17-18,24,28H2,1-2H3