(3aS,4R)-4-phenyl-2,3,3a,4,6,7-hexahydro-1H-azulen-5-one

Systemtic Name: (3aS,4R)-4-phenyl-2,3,3a,4,6,7-hexahydro-1H-azulen-5-one Openeye Name: (3aS,4R)-4-phenyl-2,3,3a,4,6,7-hexahydro-1H-azulen-5-one CAS Name: (3aS,4R)-4-phenyl-2,3,3a,4,6,7-hexahydro-1H-azulen-5-one IUPAC Name: (3aS,4R)-4-phenyl-2,3,3a,4,6,7-hexahydro-1H-azulen-5-one Traditional Name: (3aS,4R)-4-phenyl-2,3,3a,4,6,7-hexahydro-1H-azulen-5-one Formula: C16H18O MolecularWeight: 226.31352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(=O)CCC=C2C1)C3=CC=CC=C3

Isomeric SMILES

C1C[C@H]2[C@@H](C(=O)CCC=C2C1)C3=CC=CC=C3

InChI

InChI=1S/C16H18O/c17-15-11-5-9-12-8-4-10-14(12)16(15)13-6-2-1-3-7-13/h1-3,6-7,9,14,16H,4-5,8,10-11H2/t14-,16+/m1/s1