[3-(4-hydroxyphenyl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl] (E)-octadec-9-enoate

Systemtic Name: [3-(4-hydroxyphenyl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl] (E)-octadec-9-enoate Openeye Name: [5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-chromen-7-yl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [5-hydroxy-3-(4-hydroxyphenyl)-4-keto-chromen-7-yl] ester Formula: C33H42O6 MolecularWeight: 534.68298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O

InChI

InChI=1S/C33H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-31(36)39-27-22-29(35)32-30(23-27)38-24-28(33(32)37)25-18-20-26(34)21-19-25/h9-10,18-24,34-35H,2-8,11-17H2,1H3/b10-9+