phenyl-[(1Z)-2-phenylsulfanylcycloocten-1-yl]methanone

Systemtic Name: phenyl-[(1Z)-2-phenylsulfanylcycloocten-1-yl]methanone Openeye Name: phenyl-[(1Z)-2-phenylsulfanylcycloocten-1-yl]methanone CAS Name: phenyl-[(1Z)-2-(phenylthio)-1-cyclooctenyl]methanone IUPAC Name: phenyl-[(1Z)-2-phenylsulfanylcycloocten-1-yl]methanone Traditional Name: phenyl-[(1Z)-2-(phenylthio)cycloocten-1-yl]methanone Formula: C21H22OS MolecularWeight: 322.46378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(=C(CC1)C(=O)C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C1CCC/C(=C(\CC1)/C(=O)C2=CC=CC=C2)/SC3=CC=CC=C3

InChI

InChI=1S/C21H22OS/c22-21(17-11-5-3-6-12-17)19-15-9-1-2-10-16-20(19)23-18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2/b20-19-