2-[2-(1-oxidanyl-1-oxidanylidene-octadecan-2-yl)phenyl]octadecanoic acid

Systemtic Name: 2-[2-(1-oxidanyl-1-oxidanylidene-octadecan-2-yl)phenyl]octadecanoic acid Openeye Name: 2-[2-(1-carboxyheptadecyl)phenyl]octadecanoic acid CAS Name: 2-[2-(1-hydroxy-1-oxooctadecan-2-yl)phenyl]octadecanoic acid IUPAC Name: 2-[2-(1-hydroxy-1-oxooctadecan-2-yl)phenyl]octadecanoic acid Traditional Name: 2-[2-(1-carboxyheptadecyl)phenyl]stearic acid Formula: C42H74O4 MolecularWeight: 643.03456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=CC=CC=C1C(CCCCCCCCCCCCCCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=CC=CC=C1C(CCCCCCCCCCCCCCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C42H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35-39(41(43)44)37-33-31-32-34-38(37)40(42(45)46)36-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-34,39-40H,3-30,35-36H2,1-2H3,(H,43,44)(H,45,46)