[3-(4-methyl-1,3-dioxan-2-yl)-2-octan-4-yl-4-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [3-(4-methyl-1,3-dioxan-2-yl)-2-octan-4-yl-4-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-(4-methyl-1,3-dioxan-2-yl)-4-phenyl-2-(1-propylpentyl)phenyl] hydrogen carbonate CAS Name: carbonic acid [3-(4-methyl-1,3-dioxan-2-yl)-2-octan-4-yl-4-phenylphenyl] ester IUPAC Name: [3-(4-methyl-1,3-dioxan-2-yl)-2-octan-4-yl-4-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-(4-methyl-1,3-dioxan-2-yl)-4-phenyl-2-(1-propylpentyl)phenyl] ester Formula: C26H34O5 MolecularWeight: 426.54516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)C1=C(C=CC(=C1C2OCCC(O2)C)C3=CC=CC=C3)OC(=O)O

Isomeric SMILES

CCCCC(CCC)C1=C(C=CC(=C1C2OCCC(O2)C)C3=CC=CC=C3)OC(=O)O

InChI

InChI=1S/C26H34O5/c1-4-6-11-20(10-5-2)23-22(31-26(27)28)15-14-21(19-12-8-7-9-13-19)24(23)25-29-17-16-18(3)30-25/h7-9,12-15,18,20,25H,4-6,10-11,16-17H2,1-3H3,(H,27,28)