(E)-5-[(1R,4S)-4-tert-butyl-1-oxidanyl-cyclohex-2-en-1-yl]-3-methyl-pent-2-en-4-ynoic acid

Systemtic Name: (E)-5-[(1R,4S)-4-tert-butyl-1-oxidanyl-cyclohex-2-en-1-yl]-3-methyl-pent-2-en-4-ynoic acid Openeye Name: (E)-5-[(1R,4S)-4-tert-butyl-1-hydroxy-cyclohex-2-en-1-yl]-3-methyl-pent-2-en-4-ynoic acid CAS Name: (E)-5-[(1R,4S)-4-tert-butyl-1-hydroxy-1-cyclohex-2-enyl]-3-methylpent-2-en-4-ynoic acid IUPAC Name: (E)-5-[(1R,4S)-4-tert-butyl-1-hydroxycyclohex-2-en-1-yl]-3-methylpent-2-en-4-ynoic acid Traditional Name: (E)-5-[(1R,4S)-4-tert-butyl-1-hydroxy-cyclohex-2-en-1-yl]-3-methyl-pent-2-en-4-ynoic acid Formula: C16H22O3 MolecularWeight: 262.34408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C#CC1(CCC(C=C1)C(C)(C)C)O

Isomeric SMILES

C/C(=C\C(=O)O)/C#C[C@]1(CC[C@@H](C=C1)C(C)(C)C)O

InChI

InChI=1S/C16H22O3/c1-12(11-14(17)18)5-8-16(19)9-6-13(7-10-16)15(2,3)4/h6,9,11,13,19H,7,10H2,1-4H3,(H,17,18)/b12-11+/t13-,16+/m1/s1