hexyl (E)-3-[3-bromanyl-4-[(4-pentylcyclohexyl)methoxy]phenyl]prop-2-enoate

Systemtic Name: hexyl (E)-3-[3-bromanyl-4-[(4-pentylcyclohexyl)methoxy]phenyl]prop-2-enoate Openeye Name: hexyl (E)-3-[3-bromo-4-[(4-pentylcyclohexyl)methoxy]phenyl]prop-2-enoate CAS Name: (E)-3-[3-bromo-4-[(4-pentylcyclohexyl)methoxy]phenyl]-2-propenoic acid hexyl ester IUPAC Name: hexyl (E)-3-[3-bromo-4-[(4-pentylcyclohexyl)methoxy]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(4-amylcyclohexyl)methoxy]-3-bromo-phenyl]acrylic acid hexyl ester Formula: C27H41BrO3 MolecularWeight: 493.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C=CC1=CC(=C(C=C1)OCC2CCC(CC2)CCCCC)Br

Isomeric SMILES

CCCCCCOC(=O)/C=C/C1=CC(=C(C=C1)OCC2CCC(CC2)CCCCC)Br

InChI

InChI=1S/C27H41BrO3/c1-3-5-7-9-19-30-27(29)18-16-23-15-17-26(25(28)20-23)31-21-24-13-11-22(12-14-24)10-8-6-4-2/h15-18,20,22,24H,3-14,19,21H2,1-2H3/b18-16+