(phenylmethyl) 2-heptyl-4-[4-methoxy-2-oxidanyl-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]phenyl]carbonyloxy-6-oxidanyl-benzoate

Systemtic Name: (phenylmethyl) 2-heptyl-4-[4-methoxy-2-oxidanyl-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]phenyl]carbonyloxy-6-oxidanyl-benzoate Openeye Name: benzyl 2-heptyl-6-hydroxy-4-[2-hydroxy-4-methoxy-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]benzoyl]oxy-benzoate CAS Name: 2-heptyl-6-hydroxy-4-[[2-hydroxy-4-methoxy-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]phenyl]-oxomethoxy]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-heptyl-6-hydroxy-4-[2-hydroxy-4-methoxy-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]benzoyl]oxybenzoate Traditional Name: 4-[2-[(2-amyl-1,3-dioxolan-2-yl)methyl]-6-hydroxy-4-methoxy-benzoyl]oxy-2-heptyl-6-hydroxy-benzoic acid benzyl ester Formula: C38H48O9 MolecularWeight: 648.78232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=CC(=C1C(=O)OCC2=CC=CC=C2)O)OC(=O)C3=C(C=C(C=C3CC4(OCCO4)CCCCC)OC)O

Isomeric SMILES

CCCCCCCC1=CC(=CC(=C1C(=O)OCC2=CC=CC=C2)O)OC(=O)C3=C(C=C(C=C3CC4(OCCO4)CCCCC)OC)O

InChI

InChI=1S/C38H48O9/c1-4-6-8-9-13-17-28-21-31(24-33(40)34(28)36(41)44-26-27-15-11-10-12-16-27)47-37(42)35-29(22-30(43-3)23-32(35)39)25-38(18-14-7-5-2)45-19-20-46-38/h10-12,15-16,21-24,39-40H,4-9,13-14,17-20,25-26H2,1-3H3