2-[(6-oxidanylidene-8a-propan-2-yl-1,2,3,4,7,8-hexahydronaphthalen-1-yl)oxycarbonyl]benzoic acid

Systemtic Name: 2-[(6-oxidanylidene-8a-propan-2-yl-1,2,3,4,7,8-hexahydronaphthalen-1-yl)oxycarbonyl]benzoic acid Openeye Name: 2-[(8a-isopropyl-6-oxo-1,2,3,4,7,8-hexahydronaphthalen-1-yl)oxycarbonyl]benzoic acid CAS Name: 2-[oxo-[(6-oxo-8a-propan-2-yl-1,2,3,4,7,8-hexahydronaphthalen-1-yl)oxy]methyl]benzoic acid IUPAC Name: 2-[(6-oxo-8a-propan-2-yl-1,2,3,4,7,8-hexahydronaphthalen-1-yl)oxycarbonyl]benzoic acid Traditional Name: 2-[(8a-isopropyl-6-keto-1,2,3,4,7,8-hexahydronaphthalen-1-yl)oxycarbonyl]benzoic acid Formula: C21H24O5 MolecularWeight: 356.41226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C12CCC(=O)C=C1CCCC2OC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C)C12CCC(=O)C=C1CCCC2OC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H24O5/c1-13(2)21-11-10-15(22)12-14(21)6-5-9-18(21)26-20(25)17-8-4-3-7-16(17)19(23)24/h3-4,7-8,12-13,18H,5-6,9-11H2,1-2H3,(H,23,24)