(3,3-dimethyl-2-octan-3-yl-inden-1-yl) hydrogen carbonate

Systemtic Name: (3,3-dimethyl-2-octan-3-yl-inden-1-yl) hydrogen carbonate Openeye Name: [2-(1-ethylhexyl)-3,3-dimethyl-inden-1-yl] hydrogen carbonate CAS Name: carbonic acid (3,3-dimethyl-2-octan-3-yl-1-indenyl) ester IUPAC Name: (3,3-dimethyl-2-octan-3-ylinden-1-yl) hydrogen carbonate Traditional Name: carbonic acid [2-(1-ethylhexyl)-3,3-dimethyl-inden-1-yl] ester Formula: C20H28O3 MolecularWeight: 316.43452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=C(C2=CC=CC=C2C1(C)C)OC(=O)O

Isomeric SMILES

CCCCCC(CC)C1=C(C2=CC=CC=C2C1(C)C)OC(=O)O

InChI

InChI=1S/C20H28O3/c1-5-7-8-11-14(6-2)17-18(23-19(21)22)15-12-9-10-13-16(15)20(17,3)4/h9-10,12-14H,5-8,11H2,1-4H3,(H,21,22)