3-[4-[2,3-bis(oxidanyl)phenyl]butoxy]-5-octadecoxy-benzoic acid

Systemtic Name: 3-[4-[2,3-bis(oxidanyl)phenyl]butoxy]-5-octadecoxy-benzoic acid Openeye Name: 3-[4-(2,3-dihydroxyphenyl)butoxy]-5-octadecoxy-benzoic acid CAS Name: 3-[4-(2,3-dihydroxyphenyl)butoxy]-5-octadecoxybenzoic acid IUPAC Name: 3-[4-(2,3-dihydroxyphenyl)butoxy]-5-octadecoxybenzoic acid Traditional Name: 3-[4-(2,3-dihydroxyphenyl)butoxy]-5-stearyloxy-benzoic acid Formula: C35H54O6 MolecularWeight: 570.79966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)OCCCCC2=C(C(=CC=C2)O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)OCCCCC2=C(C(=CC=C2)O)O)C(=O)O

InChI

InChI=1S/C35H54O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-24-40-31-26-30(35(38)39)27-32(28-31)41-25-19-17-21-29-22-20-23-33(36)34(29)37/h20,22-23,26-28,36-37H,2-19,21,24-25H2,1H3,(H,38,39)