docosyl 3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate

Systemtic Name: docosyl 3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate Openeye Name: docosyl 3-(3,4-dihydroxyphenyl)prop-2-enoate CAS Name: 3-(3,4-dihydroxyphenyl)-2-propenoic acid docosyl ester IUPAC Name: docosyl 3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: 3-(3,4-dihydroxyphenyl)acrylic acid behenyl ester Formula: C31H52O4 MolecularWeight: 488.74218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C31H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-35-31(34)25-23-28-22-24-29(32)30(33)27-28/h22-25,27,32-33H,2-21,26H2,1H3