[4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]-2-oxidanyl-phenyl] (Z)-icos-11-enoate

Systemtic Name: [4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]-2-oxidanyl-phenyl] (Z)-icos-11-enoate Openeye Name: [4-[(E)-1-ethyl-2-(4-hydroxyphenyl)but-1-enyl]-2-hydroxy-phenyl] (Z)-icos-11-enoate CAS Name: (Z)-11-eicosenoic 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] (Z)-icos-11-enoate Traditional Name: (Z)-eicos-11-enoic acid [4-[(E)-1-ethyl-2-(4-hydroxyphenyl)but-1-enyl]-2-hydroxy-phenyl] ester Formula: C38H56O4 MolecularWeight: 576.84884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H56O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-38(41)42-37-29-26-32(30-36(37)40)35(6-3)34(5-2)31-24-27-33(39)28-25-31/h13-14,24-30,39-40H,4-12,15-23H2,1-3H3/b14-13-,35-34+