benzene-1,2,4-tricarboxylic acid; ethenylbenzene; prop-2-en-1-ol

Systemtic Name: benzene-1,2,4-tricarboxylic acid; ethenylbenzene; prop-2-en-1-ol Openeye Name: benzene-1,2,4-tricarboxylic acid; prop-2-en-1-ol; styrene CAS Name: benzene-1,2,4-tricarboxylic acid; 2-propen-1-ol; styrene IUPAC Name: benzene-1,2,4-tricarboxylic acid; prop-2-en-1-ol; styrene Traditional Name: prop-2-en-1-ol; styrene; trimellitic acid Formula: C20H20O7 MolecularWeight: 372.3686

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Descriptors Computed from Structure

Canonical SMILES:

C=CCO.C=CC1=CC=CC=C1.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C=CCO.C=CC1=CC=CC=C1.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C9H6O6.C8H8.C3H6O/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;1-2-8-6-4-3-5-7-8;1-2-3-4/h1-3H,(H,10,11)(H,12,13)(H,14,15);2-7H,1H2;2,4H,1,3H2