[2-butyl-4-[1-(3-butyl-4-prop-2-ynoxycarbonyloxy-phenyl)butyl]phenyl] prop-2-ynyl carbonate

Systemtic Name: [2-butyl-4-[1-(3-butyl-4-prop-2-ynoxycarbonyloxy-phenyl)butyl]phenyl] prop-2-ynyl carbonate Openeye Name: [2-butyl-4-[1-(3-butyl-4-prop-2-ynoxycarbonyloxy-phenyl)butyl]phenyl] prop-2-ynyl carbonate CAS Name: carbonic acid [2-butyl-4-[1-[3-butyl-4-[oxo(prop-2-ynoxy)methoxy]phenyl]butyl]phenyl] prop-2-ynyl ester IUPAC Name: [2-butyl-4-[1-(3-butyl-4-prop-2-ynoxycarbonyloxyphenyl)butyl]phenyl] prop-2-ynyl carbonate Traditional Name: carbonic acid [2-butyl-4-[1-(3-butyl-4-propargyloxycarbonyloxy-phenyl)butyl]phenyl] propargyl ester Formula: C32H38O6 MolecularWeight: 518.64052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)C(CCC)C2=CC(=C(C=C2)OC(=O)OCC#C)CCCC)OC(=O)OCC#C

Isomeric SMILES

CCCCC1=C(C=CC(=C1)C(CCC)C2=CC(=C(C=C2)OC(=O)OCC#C)CCCC)OC(=O)OCC#C

InChI

InChI=1S/C32H38O6/c1-6-11-14-26-22-24(16-18-29(26)37-31(33)35-20-9-4)28(13-8-3)25-17-19-30(27(23-25)15-12-7-2)38-32(34)36-21-10-5/h4-5,16-19,22-23,28H,6-8,11-15,20-21H2,1-3H3