[1-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoxy]-3-oxidanyl-propan-2-yl] (E)-octadec-9-enoate

Systemtic Name: [1-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoxy]-3-oxidanyl-propan-2-yl] (E)-octadec-9-enoate Openeye Name: [2-hydroxy-1-[[(E)-3-(4-hydroxy-3-methoxy-phenyl)allyloxy]methyl]ethyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [1-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoxy]propan-2-yl] ester IUPAC Name: [1-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoxy]propan-2-yl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [2-hydroxy-1-[[(E)-3-(4-hydroxy-3-methoxy-phenyl)allyloxy]methyl]ethyl] ester Formula: C31H50O6 MolecularWeight: 518.7251

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(CO)COCC=CC1=CC(=C(C=C1)O)OC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(CO)COC/C=C/C1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C31H50O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31(34)37-28(25-32)26-36-23-18-19-27-21-22-29(33)30(24-27)35-2/h10-11,18-19,21-22,24,28,32-33H,3-9,12-17,20,23,25-26H2,1-2H3/b11-10+,19-18+