(2S,3S,4S)-2-(1,3-benzodioxol-5-yl)-4-butyl-6-propan-2-yloxy-3,4-dihydro-2H-chromene-3-carboxylic acid

Systemtic Name: (2S,3S,4S)-2-(1,3-benzodioxol-5-yl)-4-butyl-6-propan-2-yloxy-3,4-dihydro-2H-chromene-3-carboxylic acid Openeye Name: (2S,3S,4S)-2-(1,3-benzodioxol-5-yl)-4-butyl-6-isopropoxy-chromane-3-carboxylic acid CAS Name: (2S,3S,4S)-2-(1,3-benzodioxol-5-yl)-4-butyl-6-propan-2-yloxy-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid IUPAC Name: (2S,3S,4S)-2-(1,3-benzodioxol-5-yl)-4-butyl-6-propan-2-yloxy-3,4-dihydro-2H-chromene-3-carboxylic acid Traditional Name: (2S,3S,4S)-2-(1,3-benzodioxol-5-yl)-4-butyl-6-isopropoxy-chroman-3-carboxylic acid Formula: C24H28O6 MolecularWeight: 412.47552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C(OC2=C1C=C(C=C2)OC(C)C)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CCCC[C@H]1[C@@H]([C@H](OC2=C1C=C(C=C2)OC(C)C)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C24H28O6/c1-4-5-6-17-18-12-16(29-14(2)3)8-10-19(18)30-23(22(17)24(25)26)15-7-9-20-21(11-15)28-13-27-20/h7-12,14,17,22-23H,4-6,13H2,1-3H3,(H,25,26)/t17-,22+,23-/m1/s1