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

Systemtic Name: 7-[5-(6-chloranyl-4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)pentoxy]-6-ethanoyl-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 6-acetyl-7-[5-(4-acetyl-6-chloro-3-hydroxy-2-propyl-phenoxy)pentoxy]chromane-2-carboxylic acid CAS Name: 6-acetyl-7-[5-(4-acetyl-6-chloro-3-hydroxy-2-propylphenoxy)pentoxy]-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 6-acetyl-7-[5-(4-acetyl-6-chloro-3-hydroxy-2-propylphenoxy)pentoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: 6-acetyl-7-[5-(4-acetyl-6-chloro-3-hydroxy-2-propyl-phenoxy)pentoxy]chroman-2-carboxylic acid Formula: C28H33ClO8 MolecularWeight: 533.00982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1OCCCCCOC2=CC3=C(CCC(O3)C(=O)O)C=C2C(=O)C)Cl)C(=O)C)O

Isomeric SMILES

CCCC1=C(C(=CC(=C1OCCCCCOC2=CC3=C(CCC(O3)C(=O)O)C=C2C(=O)C)Cl)C(=O)C)O

InChI

InChI=1S/C28H33ClO8/c1-4-8-19-26(32)21(17(3)31)14-22(29)27(19)36-12-7-5-6-11-35-25-15-24-18(13-20(25)16(2)30)9-10-23(37-24)28(33)34/h13-15,23,32H,4-12H2,1-3H3,(H,33,34)