[4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]-2-oxidanyl-phenyl] (E)-octadec-9-enoate

Systemtic Name: [4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]-2-oxidanyl-phenyl] (E)-octadec-9-enoate Openeye Name: [4-[(E)-1-ethyl-2-(4-hydroxyphenyl)but-1-enyl]-2-hydroxy-phenyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [2-hydroxy-4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenyl] ester IUPAC Name: [2-hydroxy-4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [4-[(E)-1-ethyl-2-(4-hydroxyphenyl)but-1-enyl]-2-hydroxy-phenyl] ester Formula: C36H52O4 MolecularWeight: 548.79568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1=C(C=C(C=C1)C(=C(CC)C2=CC=C(C=C2)O)CC)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC1=C(C=C(C=C1)/C(=C(\CC)/C2=CC=C(C=C2)O)/CC)O

InChI

InChI=1S/C36H52O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-36(39)40-35-27-24-30(28-34(35)38)33(6-3)32(5-2)29-22-25-31(37)26-23-29/h13-14,22-28,37-38H,4-12,15-21H2,1-3H3/b14-13+,33-32+