2-[(S)-(3-ethoxy-4-oxidanyl-phenyl)-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]cyclohexane-1,3-dione

Systemtic Name: 2-[(S)-(3-ethoxy-4-oxidanyl-phenyl)-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]cyclohexane-1,3-dione Openeye Name: 2-[(S)-(3-ethoxy-4-hydroxy-phenyl)-(2-hydroxy-6-oxo-cyclohexen-1-yl)methyl]cyclohexane-1,3-dione CAS Name: 2-[(S)-(3-ethoxy-4-hydroxyphenyl)-(2-hydroxy-6-oxo-1-cyclohexenyl)methyl]cyclohexane-1,3-dione IUPAC Name: 2-[(S)-(3-ethoxy-4-hydroxyphenyl)-(2-hydroxy-6-oxocyclohexen-1-yl)methyl]cyclohexane-1,3-dione Traditional Name: 2-[(S)-(3-ethoxy-4-hydroxy-phenyl)-(2-hydroxy-6-keto-cyclohexen-1-yl)methyl]cyclohexane-1,3-quinone Formula: C21H24O6 MolecularWeight: 372.41166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2C(=O)CCCC2=O)C3=C(CCCC3=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H](C2C(=O)CCCC2=O)C3=C(CCCC3=O)O)O

InChI

InChI=1S/C21H24O6/c1-2-27-18-11-12(9-10-13(18)22)19(20-14(23)5-3-6-15(20)24)21-16(25)7-4-8-17(21)26/h9-11,19-20,22,25H,2-8H2,1H3/t19-/m1/s1