1-[5-[3-[(E)-but-2-enyl]sulfonylphenyl]-2-methoxy-phenyl]adamantane

Systemtic Name: 1-[5-[3-[(E)-but-2-enyl]sulfonylphenyl]-2-methoxy-phenyl]adamantane Openeye Name: 1-[5-[3-[(E)-but-2-enyl]sulfonylphenyl]-2-methoxy-phenyl]adamantane CAS Name: 1-[5-[3-[(E)-but-2-enyl]sulfonylphenyl]-2-methoxyphenyl]adamantane IUPAC Name: 1-[5-[3-[(E)-but-2-enyl]sulfonylphenyl]-2-methoxyphenyl]adamantane Traditional Name: 1-[5-[3-[(E)-but-2-enyl]sulfonylphenyl]-2-methoxy-phenyl]adamantane Formula: C27H32O3S MolecularWeight: 436.60618

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCS(=O)(=O)C1=CC=CC(=C1)C2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C/C=C/CS(=O)(=O)C1=CC=CC(=C1)C2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H32O3S/c1-3-4-10-31(28,29)24-7-5-6-22(14-24)23-8-9-26(30-2)25(15-23)27-16-19-11-20(17-27)13-21(12-19)18-27/h3-9,14-15,19-21H,10-13,16-18H2,1-2H3/b4-3+