5-oxidanylidene-5-[3-(1-oxidanylideneisochromen-3-yl)propoxy]pentanoic acid

Systemtic Name: 5-oxidanylidene-5-[3-(1-oxidanylideneisochromen-3-yl)propoxy]pentanoic acid Openeye Name: 5-oxo-5-[3-(1-oxoisochromen-3-yl)propoxy]pentanoic acid CAS Name: 5-oxo-5-[3-(1-oxo-2-benzopyran-3-yl)propoxy]pentanoic acid IUPAC Name: 5-oxo-5-[3-(1-oxoisochromen-3-yl)propoxy]pentanoic acid Traditional Name: 5-keto-5-[3-(1-ketoisochromen-3-yl)propoxy]valeric acid Formula: C17H18O6 MolecularWeight: 318.32122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(OC2=O)CCCOC(=O)CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(OC2=O)CCCOC(=O)CCCC(=O)O

InChI

InChI=1S/C17H18O6/c18-15(19)8-3-9-16(20)22-10-4-6-13-11-12-5-1-2-7-14(12)17(21)23-13/h1-2,5,7,11H,3-4,6,8-10H2,(H,18,19)