7-[3-(2-chloranyl-4-ethoxy-phenoxy)propoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid

Systemtic Name: 7-[3-(2-chloranyl-4-ethoxy-phenoxy)propoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 7-[3-(2-chloro-4-ethoxy-phenoxy)propoxy]chromane-2-carboxylic acid CAS Name: 7-[3-(2-chloro-4-ethoxyphenoxy)propoxy]-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[3-(2-chloro-4-ethoxyphenoxy)propoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: 7-[3-(2-chloro-4-ethoxy-phenoxy)propoxy]chroman-2-carboxylic acid Formula: C21H23ClO6 MolecularWeight: 406.85672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCCCOC2=CC3=C(CCC(O3)C(=O)O)C=C2)Cl

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCCCOC2=CC3=C(CCC(O3)C(=O)O)C=C2)Cl

InChI

InChI=1S/C21H23ClO6/c1-2-25-15-7-9-18(17(22)12-15)27-11-3-10-26-16-6-4-14-5-8-19(21(23)24)28-20(14)13-16/h4,6-7,9,12-13,19H,2-3,5,8,10-11H2,1H3,(H,23,24)