phenylsulfonyl (2E,6E)-7-[3-(1-adamantyl)-4-methoxy-phenyl]-2-ethyl-3-methyl-octa-2,6-dienoate

Systemtic Name: phenylsulfonyl (2E,6E)-7-[3-(1-adamantyl)-4-methoxy-phenyl]-2-ethyl-3-methyl-octa-2,6-dienoate Openeye Name: benzenesulfonyl (2E,6E)-7-[3-(1-adamantyl)-4-methoxy-phenyl]-2-ethyl-3-methyl-octa-2,6-dienoate CAS Name: (2E,6E)-7-[3-(1-adamantyl)-4-methoxyphenyl]-2-ethyl-3-methylocta-2,6-dienoic acid benzenesulfonyl ester IUPAC Name: benzenesulfonyl (2E,6E)-7-[3-(1-adamantyl)-4-methoxyphenyl]-2-ethyl-3-methylocta-2,6-dienoate Traditional Name: (2E,6E)-7-[3-(1-adamantyl)-4-methoxy-phenyl]-2-ethyl-3-methyl-octa-2,6-dienoic acid besyl ester Formula: C34H42O5S MolecularWeight: 562.75928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C)CCC=C(C)C1=CC(=C(C=C1)OC)C23CC4CC(C2)CC(C4)C3)C(=O)OS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC/C(=C(/C)\CC/C=C(\C)/C1=CC(=C(C=C1)OC)C23CC4CC(C2)CC(C4)C3)/C(=O)OS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C34H42O5S/c1-5-30(33(35)39-40(36,37)29-12-7-6-8-13-29)24(3)11-9-10-23(2)28-14-15-32(38-4)31(19-28)34-20-25-16-26(21-34)18-27(17-25)22-34/h6-8,10,12-15,19,25-27H,5,9,11,16-18,20-22H2,1-4H3/b23-10+,30-24+