(Z)-3-(3-ethyl-3-bicyclo[2.2.1]heptanyl)-2-methyl-prop-2-enoic acid; (Z)-2-methyl-3-(3-oxidanyl-1-adamantyl)prop-2-enoic acid

Systemtic Name: (Z)-3-(3-ethyl-3-bicyclo[2.2.1]heptanyl)-2-methyl-prop-2-enoic acid; (Z)-2-methyl-3-(3-oxidanyl-1-adamantyl)prop-2-enoic acid Openeye Name: (Z)-3-(2-ethylnorbornan-2-yl)-2-methyl-prop-2-enoic acid; (Z)-3-(3-hydroxy-1-adamantyl)-2-methyl-prop-2-enoic acid CAS Name: (Z)-3-(3-ethyl-3-bicyclo[2.2.1]heptanyl)-2-methyl-2-propenoic acid; (Z)-3-(3-hydroxy-1-adamantyl)-2-methyl-2-propenoic acid IUPAC Name: (Z)-3-(3-ethyl-3-bicyclo[2.2.1]heptanyl)-2-methylprop-2-enoic acid; (Z)-3-(3-hydroxy-1-adamantyl)-2-methylprop-2-enoic acid Traditional Name: (Z)-3-(2-ethylnorbornan-2-yl)-2-methyl-acrylic acid; (Z)-3-(3-hydroxy-1-adamantyl)-2-methyl-acrylic acid Formula: C27H40O5 MolecularWeight: 444.6035

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2CCC1C2)C=C(C)C(=O)O.CC(=CC12CC3CC(C1)CC(C3)(C2)O)C(=O)O

Isomeric SMILES

CCC1(CC2CCC1C2)/C=C(/C)\C(=O)O.C/C(=C/C12CC3CC(C1)CC(C3)(C2)O)/C(=O)O

InChI

InChI=1S/C14H20O3.C13H20O2/c1-9(12(15)16)3-13-4-10-2-11(5-13)7-14(17,6-10)8-13;1-3-13(7-9(2)12(14)15)8-10-4-5-11(13)6-10/h3,10-11,17H,2,4-8H2,1H3,(H,15,16);7,10-11H,3-6,8H2,1-2H3,(H,14,15)/b9-3-;9-7-