(4aS,10aR)-10-butyl-2,3,4a,10a-tetrahydro-1H-phenanthren-4-one

Systemtic Name: (4aS,10aR)-10-butyl-2,3,4a,10a-tetrahydro-1H-phenanthren-4-one Openeye Name: (4aS,10aR)-10-butyl-2,3,4a,10a-tetrahydro-1H-phenanthren-4-one CAS Name: (4aS,10aR)-10-butyl-2,3,4a,10a-tetrahydro-1H-phenanthren-4-one IUPAC Name: (4aS,10aR)-10-butyl-2,3,4a,10a-tetrahydro-1H-phenanthren-4-one Traditional Name: (4aS,10aR)-10-butyl-2,3,4a,10a-tetrahydro-1H-phenanthren-4-one Formula: C18H22O MolecularWeight: 254.36668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C3C1CCCC3=O

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2[C@@H]3[C@H]1CCCC3=O

InChI

InChI=1S/C18H22O/c1-2-3-7-13-12-14-8-4-5-9-15(14)18-16(13)10-6-11-17(18)19/h4-5,8-9,12,16,18H,2-3,6-7,10-11H2,1H3/t16-,18+/m0/s1