phenethylbenzene; terephthalate

Systemtic Name: phenethylbenzene; terephthalate Openeye Name: phenethylbenzene; terephthalate CAS Name: phenethylbenzene; terephthalate IUPAC Name: phenethylbenzene; terephthalate Traditional Name: phenethylbenzene; terephthalate Formula: C22H18O4-2 MolecularWeight: 346.37592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=CC=C2.C1=CC(=CC=C1C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=CC=C2.C1=CC(=CC=C1C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H14.C8H6O4/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;9-7(10)5-1-2-6(4-3-5)8(11)12/h1-10H,11-12H2;1-4H,(H,9,10)(H,11,12)/p-2