[4-[1,3,3-trimethyl-6-(3-methylbutanoyloxy)-2H-inden-1-yl]phenyl] 3-methylbutanoate

Systemtic Name: [4-[1,3,3-trimethyl-6-(3-methylbutanoyloxy)-2H-inden-1-yl]phenyl] 3-methylbutanoate Openeye Name: [4-[1,3,3-trimethyl-6-(3-methylbutanoyloxy)indan-1-yl]phenyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [4-[1,3,3-trimethyl-6-(3-methyl-1-oxobutoxy)-2H-inden-1-yl]phenyl] ester IUPAC Name: [4-[1,3,3-trimethyl-6-(3-methylbutanoyloxy)-2H-inden-1-yl]phenyl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [4-(6-isovaleryloxy-1,3,3-trimethyl-indan-1-yl)phenyl] ester Formula: C28H36O4 MolecularWeight: 436.58304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1=CC=C(C=C1)C2(CC(C3=C2C=C(C=C3)OC(=O)CC(C)C)(C)C)C

Isomeric SMILES

CC(C)CC(=O)OC1=CC=C(C=C1)C2(CC(C3=C2C=C(C=C3)OC(=O)CC(C)C)(C)C)C

InChI

InChI=1S/C28H36O4/c1-18(2)14-25(29)31-21-10-8-20(9-11-21)28(7)17-27(5,6)23-13-12-22(16-24(23)28)32-26(30)15-19(3)4/h8-13,16,18-19H,14-15,17H2,1-7H3