(1S,5R)-6,6-dimethyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-3-phenylselanyl-prop-2-enyl]bicyclo[3.1.1]hept-3-ene

Systemtic Name: (1S,5R)-6,6-dimethyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-3-phenylselanyl-prop-2-enyl]bicyclo[3.1.1]hept-3-ene Openeye Name: (1S,5R)-6,6-dimethyl-4-[(Z)-3-phenylselanyl-2-(p-tolylsulfonyl)allyl]bicyclo[3.1.1]hept-3-ene CAS Name: (1S,5R)-6,6-dimethyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-3-(phenylseleno)prop-2-enyl]bicyclo[3.1.1]hept-3-ene IUPAC Name: (1S,5R)-6,6-dimethyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-3-phenylselanylprop-2-enyl]bicyclo[3.1.1]hept-3-ene Traditional Name: (1S,5R)-6,6-dimethyl-4-[(Z)-3-(phenylseleno)-2-tosyl-allyl]bicyclo[3.1.1]hept-3-ene Formula: C25H28O2SSe MolecularWeight: 471.51362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=C[Se]C2=CC=CC=C2)CC3=CCC4CC3C4(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C\[Se]C2=CC=CC=C2)/CC3=CC[C@H]4C[C@@H]3C4(C)C

InChI

InChI=1S/C25H28O2SSe/c1-18-9-13-21(14-10-18)28(26,27)22(17-29-23-7-5-4-6-8-23)15-19-11-12-20-16-24(19)25(20,2)3/h4-11,13-14,17,20,24H,12,15-16H2,1-3H3/b22-17-/t20-,24-/m0/s1