hexane-1,2,3,4,5,6-hexol; 4-methoxybenzoic acid; propane-2,2-diol

Systemtic Name: hexane-1,2,3,4,5,6-hexol; 4-methoxybenzoic acid; propane-2,2-diol Openeye Name: hexane-1,2,3,4,5,6-hexol; 4-methoxybenzoic acid; propane-2,2-diol CAS Name: hexane-1,2,3,4,5,6-hexol; 4-methoxybenzoic acid; propane-2,2-diol IUPAC Name: hexane-1,2,3,4,5,6-hexol; 4-methoxybenzoic acid; propane-2,2-diol Traditional Name: hexane-1,2,3,4,5,6-hexol; p-anisic acid; propane-2,2-diol Formula: C17H30O11 MolecularWeight: 410.4135

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(O)O.COC1=CC=C(C=C1)C(=O)O.C(C(C(C(C(CO)O)O)O)O)O

Isomeric SMILES

CC(C)(O)O.COC1=CC=C(C=C1)C(=O)O.C(C(C(C(C(CO)O)O)O)O)O

InChI

InChI=1S/C8H8O3.C6H14O6.C3H8O2/c1-11-7-4-2-6(3-5-7)8(9)10;7-1-3(9)5(11)6(12)4(10)2-8;1-3(2,4)5/h2-5H,1H3,(H,9,10);3-12H,1-2H2;4-5H,1-2H3