(4-prop-2-enoxycarbonylphenyl) 3-(1-adamantyl)-4-[2,3-bis(oxidanyl)propoxy]benzoate

Systemtic Name: (4-prop-2-enoxycarbonylphenyl) 3-(1-adamantyl)-4-[2,3-bis(oxidanyl)propoxy]benzoate Openeye Name: (4-allyloxycarbonylphenyl) 3-(1-adamantyl)-4-(2,3-dihydroxypropoxy)benzoate CAS Name: 3-(1-adamantyl)-4-(2,3-dihydroxypropoxy)benzoic acid [4-[oxo(prop-2-enoxy)methyl]phenyl] ester IUPAC Name: (4-prop-2-enoxycarbonylphenyl) 3-(1-adamantyl)-4-(2,3-dihydroxypropoxy)benzoate Traditional Name: 3-(1-adamantyl)-4-glyceryloxy-benzoic acid (4-allyloxycarbonylphenyl) ester Formula: C30H34O7 MolecularWeight: 506.58676

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OCC(CO)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C=CCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OCC(CO)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C30H34O7/c1-2-9-35-28(33)22-3-6-25(7-4-22)37-29(34)23-5-8-27(36-18-24(32)17-31)26(13-23)30-14-19-10-20(15-30)12-21(11-19)16-30/h2-8,13,19-21,24,31-32H,1,9-12,14-18H2