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(7-methyl-2-oxidanylidene-chromen-4-yl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate

(7-methyl-2-oxidanylidene-chromen-4-yl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name:(7-methyl-2-oxidanylidene-chromen-4-yl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate
Openeye Name:(7-methyl-2-oxo-chromen-4-yl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate
CAS Name:(5S,7R)-3-chloro-1-adamantanecarboxylic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester
IUPAC Name:(7-methyl-2-oxochromen-4-yl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate
Traditional Name:(5S,7R)-3-chloroadamantane-1-carboxylic acid (2-keto-7-methyl-chromen-4-yl)methyl ester
Formula: C22H23ClO4
MolecularWeight: 386.86862
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl


Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl


InChI

InChI=1S/C22H23ClO4/c1-13-2-3-17-16(6-19(24)27-18(17)4-13)11-26-20(25)21-7-14-5-15(8-21)10-22(23,9-14)12-21/h2-4,6,14-15H,5,7-12H2,1H3/t14-,15+,21?,22?


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