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

Systemtic Name: sodium 6-ethanoyl-7-[5-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)pentoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: sodium 6-acetyl-7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)pentoxy]chromane-2-carboxylic acid CAS Name: sodium 6-acetyl-7-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentoxy]-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: sodium 6-acetyl-7-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: sodium 6-acetyl-7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)pentoxy]chroman-2-carboxylic acid Formula: C28H34NaO8+ MolecularWeight: 521.55453

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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)C.[Na+]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCOC2=CC3=C(CCC(O3)C(=O)O)C=C2C(=O)C.[Na+]

InChI

InChI=1S/C28H34O8.Na/c1-4-8-21-23(12-10-20(17(2)29)27(21)31)34-13-6-5-7-14-35-26-16-25-19(15-22(26)18(3)30)9-11-24(36-25)28(32)33;/h10,12,15-16,24,31H,4-9,11,13-14H2,1-3H3,(H,32,33);/q;+1