(E)-18-[2-[(E)-18-oxidanyl-18-oxidanylidene-octadec-9-enyl]phenyl]octadec-9-enoic acid

Systemtic Name: (E)-18-[2-[(E)-18-oxidanyl-18-oxidanylidene-octadec-9-enyl]phenyl]octadec-9-enoic acid Openeye Name: (E)-18-[2-[(E)-18-hydroxy-18-oxo-octadec-9-enyl]phenyl]octadec-9-enoic acid CAS Name: (E)-18-[2-[(E)-18-hydroxy-18-oxooctadec-9-enyl]phenyl]-9-octadecenoic acid IUPAC Name: (E)-18-[2-[(E)-18-hydroxy-18-oxooctadec-9-enyl]phenyl]octadec-9-enoic acid Traditional Name: (E)-18-[2-[(E)-18-hydroxy-18-keto-octadec-9-enyl]phenyl]octadec-9-enoic acid Formula: C42H70O4 MolecularWeight: 639.0028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H70O4/c43-41(44)37-29-25-21-17-13-9-5-1-3-7-11-15-19-23-27-33-39-35-31-32-36-40(39)34-28-24-20-16-12-8-4-2-6-10-14-18-22-26-30-38-42(45)46/h1-2,5-6,31-32,35-36H,3-4,7-30,33-34,37-38H2,(H,43,44)(H,45,46)/b5-1+,6-2+