benzene-1,3-dicarboxylic acid; 4-propylphenol

Systemtic Name: benzene-1,3-dicarboxylic acid; 4-propylphenol Openeye Name: isophthalic acid; 4-propylphenol CAS Name: benzene-1,3-dicarboxylic acid; 4-propylphenol IUPAC Name: benzene-1,3-dicarboxylic acid; 4-propylphenol Traditional Name: isophthalic acid; 4-propylphenol Formula: C17H18O5 MolecularWeight: 302.32182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C9H12O.C8H6O4/c1-2-3-8-4-6-9(10)7-5-8;9-7(10)5-2-1-3-6(4-5)8(11)12/h4-7,10H,2-3H2,1H3;1-4H,(H,9,10)(H,11,12)