methyl 7-acetyloxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-2-carboxylate

Systemtic Name: methyl 7-acetyloxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-2-carboxylate Openeye Name: methyl 7-acetoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-2-carboxylate CAS Name: 7-acetyloxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-2-carboxylic acid methyl ester IUPAC Name: methyl 7-acetyloxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-2-carboxylate Traditional Name: 7-acetoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-2-carboxylic acid methyl ester Formula: C18H22O4 MolecularWeight: 302.36488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C3CCC(CC3CC2)C(=O)OC

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C3CCC(CC3CC2)C(=O)OC

InChI

InChI=1S/C18H22O4/c1-11(19)22-15-6-8-17-13(10-15)4-3-12-9-14(18(20)21-2)5-7-16(12)17/h6,8,10,12,14,16H,3-5,7,9H2,1-2H3