7-[5-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)pentoxy]-6-propanoyl-3,4-dihydro-2H-chromene-2-carboxylic acid

Systemtic Name: 7-[5-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)pentoxy]-6-propanoyl-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)pentoxy]-6-propanoyl-chromane-2-carboxylic acid CAS Name: 7-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentoxy]-6-(1-oxopropyl)-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentoxy]-6-propanoyl-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: 7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)pentoxy]-6-propionyl-chroman-2-carboxylic acid Formula: C29H36O8 MolecularWeight: 512.59134

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCOC2=CC3=C(CCC(O3)C(=O)O)C=C2C(=O)CC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCOC2=CC3=C(CCC(O3)C(=O)O)C=C2C(=O)CC

InChI

InChI=1S/C29H36O8/c1-4-9-21-24(13-11-20(18(3)30)28(21)32)35-14-7-6-8-15-36-27-17-26-19(16-22(27)23(31)5-2)10-12-25(37-26)29(33)34/h11,13,16-17,25,32H,4-10,12,14-15H2,1-3H3,(H,33,34)