3-[(1S,6R)-3,4-dibutyl-6-hept-2-ynyl-cyclohex-3-en-1-yl]prop-1-ynylbenzene

Systemtic Name: 3-[(1S,6R)-3,4-dibutyl-6-hept-2-ynyl-cyclohex-3-en-1-yl]prop-1-ynylbenzene Openeye Name: 3-[(1S,6R)-3,4-dibutyl-6-hept-2-ynyl-cyclohex-3-en-1-yl]prop-1-ynylbenzene CAS Name: 3-[(1S,6R)-3,4-dibutyl-6-hept-2-ynyl-1-cyclohex-3-enyl]prop-1-ynylbenzene IUPAC Name: 3-[(1S,6R)-3,4-dibutyl-6-hept-2-ynylcyclohex-3-en-1-yl]prop-1-ynylbenzene Traditional Name: 3-[(1S,6R)-3,4-dibutyl-6-hept-2-ynyl-cyclohex-3-en-1-yl]prop-1-ynylbenzene Formula: C30H42 MolecularWeight: 402.65448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CCC1CC(=C(CC1CC#CC2=CC=CC=C2)CCCC)CCCC

Isomeric SMILES

CCCCC#CC[C@@H]1CC(=C(C[C@@H]1CC#CC2=CC=CC=C2)CCCC)CCCC

InChI

InChI=1S/C30H42/c1-4-7-10-11-15-22-29-24-27(20-8-5-2)28(21-9-6-3)25-30(29)23-16-19-26-17-13-12-14-18-26/h12-14,17-18,29-30H,4-10,20-25H2,1-3H3/t29-,30+/m1/s1