(1-butoxy-1-oxidanylidene-propan-2-yl) 4-[4-(8-prop-2-enoxyoctoxy)phenyl]benzoate

Systemtic Name: (1-butoxy-1-oxidanylidene-propan-2-yl) 4-[4-(8-prop-2-enoxyoctoxy)phenyl]benzoate Openeye Name: (2-butoxy-1-methyl-2-oxo-ethyl) 4-[4-(8-allyloxyoctoxy)phenyl]benzoate CAS Name: 4-[4-(8-prop-2-enoxyoctoxy)phenyl]benzoic acid (1-butoxy-1-oxopropan-2-yl) ester IUPAC Name: (1-butoxy-1-oxopropan-2-yl) 4-[4-(8-prop-2-enoxyoctoxy)phenyl]benzoate Traditional Name: 4-[4-(8-allyloxyoctoxy)phenyl]benzoic acid (2-butoxy-2-keto-1-methyl-ethyl) ester Formula: C31H42O6 MolecularWeight: 510.66158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)OC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCCCOCC=C

Isomeric SMILES

CCCCOC(=O)C(C)OC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCCCOCC=C

InChI

InChI=1S/C31H42O6/c1-4-6-23-36-30(32)25(3)37-31(33)28-15-13-26(14-16-28)27-17-19-29(20-18-27)35-24-12-10-8-7-9-11-22-34-21-5-2/h5,13-20,25H,2,4,6-12,21-24H2,1,3H3