1-[3-[(E)-but-2-enyl]sulfonyl-2-(4-methoxyphenyl)phenyl]adamantane

Systemtic Name: 1-[3-[(E)-but-2-enyl]sulfonyl-2-(4-methoxyphenyl)phenyl]adamantane Openeye Name: 1-[3-[(E)-but-2-enyl]sulfonyl-2-(4-methoxyphenyl)phenyl]adamantane CAS Name: 1-[3-[(E)-but-2-enyl]sulfonyl-2-(4-methoxyphenyl)phenyl]adamantane IUPAC Name: 1-[3-[(E)-but-2-enyl]sulfonyl-2-(4-methoxyphenyl)phenyl]adamantane Traditional Name: 1-[3-[(E)-but-2-enyl]sulfonyl-2-(4-methoxyphenyl)phenyl]adamantane Formula: C27H32O3S MolecularWeight: 436.60618

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCS(=O)(=O)C1=CC=CC(=C1C2=CC=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C/C=C/CS(=O)(=O)C1=CC=CC(=C1C2=CC=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4

InChI

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