3-methoxy-5-methyl-2-methylidene-hexanoic acid; (Z)-2-methyl-3-(3-oxidanyl-1-adamantyl)prop-2-enoic acid

Systemtic Name: 3-methoxy-5-methyl-2-methylidene-hexanoic acid; (Z)-2-methyl-3-(3-oxidanyl-1-adamantyl)prop-2-enoic acid Openeye Name: (Z)-3-(3-hydroxy-1-adamantyl)-2-methyl-prop-2-enoic acid; 3-methoxy-5-methyl-2-methylene-hexanoic acid CAS Name: (Z)-3-(3-hydroxy-1-adamantyl)-2-methyl-2-propenoic acid; 3-methoxy-5-methyl-2-methylenehexanoic acid IUPAC Name: (Z)-3-(3-hydroxy-1-adamantyl)-2-methylprop-2-enoic acid; 3-methoxy-5-methyl-2-methylidenehexanoic acid Traditional Name: (Z)-3-(3-hydroxy-1-adamantyl)-2-methyl-acrylic acid; 2-(1-methoxy-3-methyl-butyl)acrylic acid Formula: C23H36O6 MolecularWeight: 408.52834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=C)C(=O)O)OC.CC(=CC12CC3CC(C1)CC(C3)(C2)O)C(=O)O

Isomeric SMILES

CC(C)CC(C(=C)C(=O)O)OC.C/C(=C/C12CC3CC(C1)CC(C3)(C2)O)/C(=O)O

InChI

InChI=1S/C14H20O3.C9H16O3/c1-9(12(15)16)3-13-4-10-2-11(5-13)7-14(17,6-10)8-13;1-6(2)5-8(12-4)7(3)9(10)11/h3,10-11,17H,2,4-8H2,1H3,(H,15,16);6,8H,3,5H2,1-2,4H3,(H,10,11)/b9-3-;