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

Systemtic Name: 6-ethanoyl-7-[5-[4-ethanoyl-3,6-bis(oxidanyl)-2-propyl-phenoxy]pentoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 6-acetyl-7-[5-(4-acetyl-3,6-dihydroxy-2-propyl-phenoxy)pentoxy]chromane-2-carboxylic acid CAS Name: 6-acetyl-7-[5-(4-acetyl-3,6-dihydroxy-2-propylphenoxy)pentoxy]-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 6-acetyl-7-[5-(4-acetyl-3,6-dihydroxy-2-propylphenoxy)pentoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: 6-acetyl-7-[5-(4-acetyl-3,6-dihydroxy-2-propyl-phenoxy)pentoxy]chroman-2-carboxylic acid Formula: C28H34O9 MolecularWeight: 514.56416

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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)O)C(=O)C)O

Isomeric SMILES

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

InChI

InChI=1S/C28H34O9/c1-4-8-19-26(32)21(17(3)30)14-22(31)27(19)36-12-7-5-6-11-35-25-15-24-18(13-20(25)16(2)29)9-10-23(37-24)28(33)34/h13-15,23,31-32H,4-12H2,1-3H3,(H,33,34)