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(Z,3S)-1-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-docos-13-en-5-one

(Z,3S)-1-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-docos-13-en-5-one

Systemtic Name:(Z,3S)-1-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-docos-13-en-5-one
Openeye Name:(Z,3S)-1-(3,4-dihydroxyphenyl)-3-hydroxy-docos-13-en-5-one
CAS Name:(Z,3S)-1-(3,4-dihydroxyphenyl)-3-hydroxy-13-docosen-5-one
IUPAC Name:(Z,3S)-1-(3,4-dihydroxyphenyl)-3-hydroxydocos-13-en-5-one
Traditional Name:(Z,3S)-1-(3,4-dihydroxyphenyl)-3-hydroxy-docos-13-en-5-one
Formula: C28H46O4
MolecularWeight: 446.66244
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)CC(CCC1=CC(=C(C=C1)O)O)O


Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)C[C@H](CCC1=CC(=C(C=C1)O)O)O


InChI

InChI=1S/C28H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(29)23-26(30)20-18-24-19-21-27(31)28(32)22-24/h9-10,19,21-22,26,30-32H,2-8,11-18,20,23H2,1H3/b10-9-/t26-/m0/s1


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