(2S)-2-[(6S)-3,8-dimethyl-6-oxidanyl-1-oxidanylidene-6,7-dihydro-5H-azulen-5-yl]propanoic acid

Systemtic Name: (2S)-2-[(6S)-3,8-dimethyl-6-oxidanyl-1-oxidanylidene-6,7-dihydro-5H-azulen-5-yl]propanoic acid Openeye Name: (2S)-2-[(6S)-6-hydroxy-3,8-dimethyl-1-oxo-6,7-dihydro-5H-azulen-5-yl]propanoic acid CAS Name: (2S)-2-[(6S)-6-hydroxy-3,8-dimethyl-1-oxo-6,7-dihydro-5H-azulen-5-yl]propanoic acid IUPAC Name: (2S)-2-[(6S)-6-hydroxy-3,8-dimethyl-1-oxo-6,7-dihydro-5H-azulen-5-yl]propanoic acid Traditional Name: (2S)-2-[(6S)-6-hydroxy-1-keto-3,8-dimethyl-6,7-dihydro-5H-azulen-5-yl]propionic acid Formula: C15H18O4 MolecularWeight: 262.30102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(C(C1)O)C(C)C(=O)O)C(=CC2=O)C

Isomeric SMILES

CC1=C2C(=CC([C@H](C1)O)[C@H](C)C(=O)O)C(=CC2=O)C

InChI

InChI=1S/C15H18O4/c1-7-4-13(17)14-8(2)5-12(16)11(6-10(7)14)9(3)15(18)19/h4,6,9,11-12,16H,5H2,1-3H3,(H,18,19)/t9-,11?,12-/m0/s1