benzene-1,2,4-tricarboxylic acid; (E)-3-(3-hydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one

Systemtic Name: benzene-1,2,4-tricarboxylic acid; (E)-3-(3-hydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one Openeye Name: benzene-1,2,4-tricarboxylic acid; (E)-3-(3-hydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one CAS Name: benzene-1,2,4-tricarboxylic acid; (E)-3-(3-hydroxyphenyl)-1-(4-hydroxyphenyl)-2-propen-1-one IUPAC Name: benzene-1,2,4-tricarboxylic acid; (E)-3-(3-hydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3-hydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one; trimellitic acid Formula: C33H24O15 MolecularWeight: 660.53466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)C=CC(=O)C2=CC=C(C=C2)O.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)O)/C=C/C(=O)C2=CC=C(C=C2)O.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C15H12O3.2C9H6O6/c16-13-7-5-12(6-8-13)15(18)9-4-11-2-1-3-14(17)10-11;2*10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-10,16-17H;2*1-3H,(H,10,11)(H,12,13)(H,14,15)/b9-4+;;