3-[6-[2,3-bis(oxidanyl)phenyl]hexoxy]-5-dodecoxy-benzoic acid

Systemtic Name: 3-[6-[2,3-bis(oxidanyl)phenyl]hexoxy]-5-dodecoxy-benzoic acid Openeye Name: 3-[6-(2,3-dihydroxyphenyl)hexoxy]-5-dodecoxy-benzoic acid CAS Name: 3-[6-(2,3-dihydroxyphenyl)hexoxy]-5-dodecoxybenzoic acid IUPAC Name: 3-[6-(2,3-dihydroxyphenyl)hexoxy]-5-dodecoxybenzoic acid Traditional Name: 3-[6-(2,3-dihydroxyphenyl)hexoxy]-5-lauryloxy-benzoic acid Formula: C31H46O6 MolecularWeight: 514.69334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=CC(=C1)OCCCCCCC2=C(C(=CC=C2)O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=CC(=C1)OCCCCCCC2=C(C(=CC=C2)O)O)C(=O)O

InChI

InChI=1S/C31H46O6/c1-2-3-4-5-6-7-8-9-11-14-20-36-27-22-26(31(34)35)23-28(24-27)37-21-15-12-10-13-17-25-18-16-19-29(32)30(25)33/h16,18-19,22-24,32-33H,2-15,17,20-21H2,1H3,(H,34,35)