3-[5-chloranyl-3-(4-methylphenoxy)-4-oxidanyl-oxolan-2-yl]-3-(4-methylphenoxy)propane-1,2-diol

Systemtic Name: 3-[5-chloranyl-3-(4-methylphenoxy)-4-oxidanyl-oxolan-2-yl]-3-(4-methylphenoxy)propane-1,2-diol Openeye Name: 3-[5-chloro-4-hydroxy-3-(4-methylphenoxy)tetrahydrofuran-2-yl]-3-(4-methylphenoxy)propane-1,2-diol CAS Name: 3-[5-chloro-4-hydroxy-3-(4-methylphenoxy)-2-oxolanyl]-3-(4-methylphenoxy)propane-1,2-diol IUPAC Name: 3-[5-chloro-4-hydroxy-3-(4-methylphenoxy)oxolan-2-yl]-3-(4-methylphenoxy)propane-1,2-diol Traditional Name: 3-[5-chloro-4-hydroxy-3-(4-methylphenoxy)tetrahydrofuran-2-yl]-3-(4-methylphenoxy)propane-1,2-diol Formula: C21H25ClO6 MolecularWeight: 408.8726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2C(C(OC2C(C(CO)O)OC3=CC=C(C=C3)C)Cl)O

Isomeric SMILES

CC1=CC=C(C=C1)OC2C(C(OC2C(C(CO)O)OC3=CC=C(C=C3)C)Cl)O

InChI

InChI=1S/C21H25ClO6/c1-12-3-7-14(8-4-12)26-18(16(24)11-23)20-19(17(25)21(22)28-20)27-15-9-5-13(2)6-10-15/h3-10,16-21,23-25H,11H2,1-2H3