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

Systemtic Name: 2-[5-[2,3-bis(oxidanyl)phenyl]pentoxy]-5-octadecoxy-benzoic acid Openeye Name: 2-[5-(2,3-dihydroxyphenyl)pentoxy]-5-octadecoxy-benzoic acid CAS Name: 2-[5-(2,3-dihydroxyphenyl)pentoxy]-5-octadecoxybenzoic acid IUPAC Name: 2-[5-(2,3-dihydroxyphenyl)pentoxy]-5-octadecoxybenzoic acid Traditional Name: 2-[5-(2,3-dihydroxyphenyl)pentoxy]-5-stearyloxy-benzoic acid Formula: C36H56O6 MolecularWeight: 584.82624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCCCCCC2=C(C(=CC=C2)O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCCCCCC2=C(C(=CC=C2)O)O)C(=O)O

InChI

InChI=1S/C36H56O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27-41-31-25-26-34(32(29-31)36(39)40)42-28-20-17-18-22-30-23-21-24-33(37)35(30)38/h21,23-26,29,37-38H,2-20,22,27-28H2,1H3,(H,39,40)