(2R)-2-[2-(4-tert-butylphenyl)-6-chloranyl-7-methyl-4-oxidanylidene-chromen-3-yl]oxypropanoate

Systemtic Name: (2R)-2-[2-(4-tert-butylphenyl)-6-chloranyl-7-methyl-4-oxidanylidene-chromen-3-yl]oxypropanoate Openeye Name: (2R)-2-[2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxo-chromen-3-yl]oxypropanoate CAS Name: (2R)-2-[[2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxo-1-benzopyran-3-yl]oxy]propanoate IUPAC Name: (2R)-2-[2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxochromen-3-yl]oxypropanoate Traditional Name: (2R)-2-[2-(4-tert-butylphenyl)-6-chloro-4-keto-7-methyl-chromen-3-yl]oxypropionate Formula: C23H22ClO5- MolecularWeight: 413.87078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC(=C(C2=O)OC(C)C(=O)[O-])C3=CC=C(C=C3)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC(=C(C2=O)O[C@H](C)C(=O)[O-])C3=CC=C(C=C3)C(C)(C)C)Cl

InChI

InChI=1S/C23H23ClO5/c1-12-10-18-16(11-17(12)24)19(25)21(28-13(2)22(26)27)20(29-18)14-6-8-15(9-7-14)23(3,4)5/h6-11,13H,1-5H3,(H,26,27)/p-1/t13-/m1/s1