6-ethanoyl-7-[6-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)hexyl]-3,4-dihydro-2H-chromene-2-carboxylic acid

Systemtic Name: 6-ethanoyl-7-[6-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)hexyl]-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 6-acetyl-7-[6-(4-acetyl-3-hydroxy-2-propyl-phenoxy)hexyl]chromane-2-carboxylic acid CAS Name: 6-acetyl-7-[6-(4-acetyl-3-hydroxy-2-propylphenoxy)hexyl]-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 6-acetyl-7-[6-(4-acetyl-3-hydroxy-2-propylphenoxy)hexyl]-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: 6-acetyl-7-[6-(4-acetyl-3-hydroxy-2-propyl-phenoxy)hexyl]chroman-2-carboxylic acid Formula: C29H36O7 MolecularWeight: 496.59194

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCCC2=CC3=C(CCC(O3)C(=O)O)C=C2C(=O)C

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCCC2=CC3=C(CCC(O3)C(=O)O)C=C2C(=O)C

InChI

InChI=1S/C29H36O7/c1-4-9-23-25(14-12-22(18(2)30)28(23)32)35-15-8-6-5-7-10-20-17-27-21(16-24(20)19(3)31)11-13-26(36-27)29(33)34/h12,14,16-17,26,32H,4-11,13,15H2,1-3H3,(H,33,34)