(4-acetyloxyphenyl) ethanoate; [4-acetyloxy-3-(1-phenylethyl)phenyl] ethanoate; terephthalic acid

Systemtic Name: (4-acetyloxyphenyl) ethanoate; [4-acetyloxy-3-(1-phenylethyl)phenyl] ethanoate; terephthalic acid Openeye Name: (4-acetoxyphenyl) acetate; [4-acetoxy-3-(1-phenylethyl)phenyl] acetate; terephthalic acid CAS Name: acetic acid (4-acetyloxyphenyl) ester; acetic acid [4-acetyloxy-3-(1-phenylethyl)phenyl] ester; terephthalic acid IUPAC Name: (4-acetyloxyphenyl) acetate; [4-acetyloxy-3-(1-phenylethyl)phenyl] acetate; terephthalic acid Traditional Name: acetic acid (4-acetoxyphenyl) ester; acetic acid [4-acetoxy-3-(1-phenylethyl)phenyl] ester; terephthalic acid Formula: C36H34O12 MolecularWeight: 658.64796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2=C(C=CC(=C2)OC(=O)C)OC(=O)C.CC(=O)OC1=CC=C(C=C1)OC(=O)C.C1=CC(=CC=C1C(=O)O)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)C2=C(C=CC(=C2)OC(=O)C)OC(=O)C.CC(=O)OC1=CC=C(C=C1)OC(=O)C.C1=CC(=CC=C1C(=O)O)C(=O)O

InChI

InChI=1S/C18H18O4.C10H10O4.C8H6O4/c1-12(15-7-5-4-6-8-15)17-11-16(21-13(2)19)9-10-18(17)22-14(3)20;1-7(11)13-9-3-5-10(6-4-9)14-8(2)12;9-7(10)5-1-2-6(4-3-5)8(11)12/h4-12H,1-3H3;3-6H,1-2H3;1-4H,(H,9,10)(H,11,12)