(1S,6S)-6-[(R)-(4-butylphenyl)-oxidanyl-methyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[(R)-(4-butylphenyl)-oxidanyl-methyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[(R)-(4-butylphenyl)-hydroxy-methyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[(R)-(4-butylphenyl)-hydroxymethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[(R)-(4-butylphenyl)-hydroxymethyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(R)-(4-butylphenyl)-hydroxy-methyl]cyclohex-3-ene-1-carboxylate Formula: C18H23O3- MolecularWeight: 287.37342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C2CC=CCC2C(=O)[O-])O

Isomeric SMILES

CCCCC1=CC=C(C=C1)[C@@H]([C@H]2CC=CC[C@@H]2C(=O)[O-])O

InChI

InChI=1S/C18H24O3/c1-2-3-6-13-9-11-14(12-10-13)17(19)15-7-4-5-8-16(15)18(20)21/h4-5,9-12,15-17,19H,2-3,6-8H2,1H3,(H,20,21)/p-1/t15-,16-,17-/m0/s1