4-(3-propylphenoxy)benzene-1,3-dicarboxylic acid

Systemtic Name: 4-(3-propylphenoxy)benzene-1,3-dicarboxylic acid Openeye Name: 4-(3-propylphenoxy)benzene-1,3-dicarboxylic acid CAS Name: 4-(3-propylphenoxy)benzene-1,3-dicarboxylic acid IUPAC Name: 4-(3-propylphenoxy)benzene-1,3-dicarboxylic acid Traditional Name: 4-(3-propylphenoxy)isophthalic acid Formula: C17H16O5 MolecularWeight: 300.30594

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC=C1)OC2=C(C=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCC1=CC(=CC=C1)OC2=C(C=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C17H16O5/c1-2-4-11-5-3-6-13(9-11)22-15-8-7-12(16(18)19)10-14(15)17(20)21/h3,5-10H,2,4H2,1H3,(H,18,19)(H,20,21)