[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] 3,4-didecoxybenzoate

Systemtic Name: [6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] 3,4-didecoxybenzoate Openeye Name: [3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 3,4-didecoxybenzoate CAS Name: 3,4-didecoxybenzoic acid [3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester IUPAC Name: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3,4-didecoxybenzoate Traditional Name: 3,4-didecoxybenzoic acid (3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl) ester Formula: C33H56O9 MolecularWeight: 596.79234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2C(C(C(C(O2)CO)O)O)O)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2C(C(C(C(O2)CO)O)O)O)OCCCCCCCCCC

InChI

InChI=1S/C33H56O9/c1-3-5-7-9-11-13-15-17-21-39-26-20-19-25(23-27(26)40-22-18-16-14-12-10-8-6-4-2)32(38)42-33-31(37)30(36)29(35)28(24-34)41-33/h19-20,23,28-31,33-37H,3-18,21-22,24H2,1-2H3