hexahelicen-3-yl [(1S,4R)-7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl]methanesulfonate

Systemtic Name: hexahelicen-3-yl [(1S,4R)-7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl]methanesulfonate Openeye Name: hexahelicen-3-yl [(1R,4S)-7,7-dimethyl-2-oxo-norbornan-1-yl]methanesulfonate CAS Name: [(1S,4R)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid 3-hexahelicenyl ester IUPAC Name: hexahelicen-3-yl [(1S,4R)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonate Traditional Name: [(1R,4S)-2-keto-7,7-dimethyl-norbornan-1-yl]methanesulfonic acid hexahelicen-3-yl ester Formula: C36H30O4S MolecularWeight: 558.686

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)OC3=CC4=C(C=C3)C5=C(C=CC6=C5C7=C(C=C6)C=CC8=CC=CC=C87)C=C4)C

Isomeric SMILES

CC1([C@H]2CC[C@@]1(C(=O)C2)CS(=O)(=O)OC3=CC4=C(C=C3)C5=C(C=CC6=C5C7=C(C=C6)C=CC8=CC=CC=C87)C=C4)C

InChI

InChI=1S/C36H30O4S/c1-35(2)27-17-18-36(35,31(37)20-27)21-41(38,39)40-28-15-16-30-26(19-28)14-13-24-10-12-25-11-9-23-8-7-22-5-3-4-6-29(22)32(23)34(25)33(24)30/h3-16,19,27H,17-18,20-21H2,1-2H3/t27-,36-/m0/s1