buta-1,3-diene; ethenylbenzene; phthalate

Systemtic Name: buta-1,3-diene; ethenylbenzene; phthalate Openeye Name: buta-1,3-diene; phthalate; styrene CAS Name: buta-1,3-diene; phthalate; styrene IUPAC Name: buta-1,3-diene; phthalate; styrene Traditional Name: buta-1,3-diene; phthalate; styrene Formula: C20H18O4-2 MolecularWeight: 322.35452

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Descriptors Computed from Structure

Canonical SMILES:

C=CC=C.C=CC1=CC=CC=C1.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C=CC=C.C=CC1=CC=CC=C1.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C8H6O4.C8H8.C4H6/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2-8-6-4-3-5-7-8;1-3-4-2/h1-4H,(H,9,10)(H,11,12);2-7H,1H2;3-4H,1-2H2/p-2