2-methyl-4-[4-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-6-pentadecyl-phenyl]carbonyloxy-6-oxidanyl-benzoic acid

Systemtic Name: 2-methyl-4-[4-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-6-pentadecyl-phenyl]carbonyloxy-6-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[2-hydroxy-6-pentadecyl-4-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-benzoyl]oxy-6-methyl-benzoic acid CAS Name: 2-hydroxy-4-[[2-hydroxy-6-pentadecyl-4-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]phenyl]-oxomethoxy]-6-methylbenzoic acid IUPAC Name: 2-hydroxy-4-[2-hydroxy-6-pentadecyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxybenzoyl]oxy-6-methylbenzoic acid Traditional Name: 2-hydroxy-4-[2-hydroxy-6-pentadecyl-4-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-benzoyl]oxy-6-methyl-benzoic acid Formula: C36H52O11 MolecularWeight: 660.79148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)OC3C(C(C(C(O3)C)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)OC3C(C(C(C(O3)C)O)O)O

InChI

InChI=1S/C36H52O11/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-19-26(47-36-33(41)32(40)31(39)23(3)45-36)21-28(38)30(24)35(44)46-25-18-22(2)29(34(42)43)27(37)20-25/h18-21,23,31-33,36-41H,4-17H2,1-3H3,(H,42,43)