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

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

Systemtic Name:nonacosyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate
Openeye Name:nonacosyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CAS Name:(E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid nonacosyl ester
IUPAC Name:nonacosyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Traditional Name:(E)-3-(3,4-dihydroxyphenyl)acrylic acid nonacosyl ester
Formula: C38H66O4
MolecularWeight: 586.92824
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC(=C(C=C1)O)O


InChI

InChI=1S/C38H66O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33-42-38(41)32-30-35-29-31-36(39)37(40)34-35/h29-32,34,39-40H,2-28,33H2,1H3/b32-30+


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