(1-oxidanyl-2-adamantyl) prop-2-enoate; (Z)-2,4,4-trimethylpent-2-enoate

Systemtic Name: (1-oxidanyl-2-adamantyl) prop-2-enoate; (Z)-2,4,4-trimethylpent-2-enoate Openeye Name: (1-hydroxy-2-adamantyl) prop-2-enoate; (Z)-2,4,4-trimethylpent-2-enoate CAS Name: 2-propenoic acid (1-hydroxy-2-adamantyl) ester; (Z)-2,4,4-trimethyl-2-pentenoate IUPAC Name: (1-hydroxy-2-adamantyl) prop-2-enoate; (Z)-2,4,4-trimethylpent-2-enoate Traditional Name: acrylic acid (1-hydroxy-2-adamantyl) ester; (Z)-2,4,4-trimethylpent-2-enoate Formula: C21H31O5- MolecularWeight: 363.46784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(C)(C)C)C(=O)[O-].C=CC(=O)OC1C2CC3CC(C2)CC1(C3)O

Isomeric SMILES

C/C(=C/C(C)(C)C)/C(=O)[O-].C=CC(=O)OC1C2CC3CC(C2)CC1(C3)O

InChI

InChI=1S/C13H18O3.C8H14O2/c1-2-11(14)16-12-10-4-8-3-9(5-10)7-13(12,15)6-8;1-6(7(9)10)5-8(2,3)4/h2,8-10,12,15H,1,3-7H2;5H,1-4H3,(H,9,10)/p-1/b;6-5-