benzoic acid; ethyl 2-(4,4-dimethyl-6-prop-2-enoyl-3H-naphthalen-1-yl)ethanoate

Systemtic Name: benzoic acid; ethyl 2-(4,4-dimethyl-6-prop-2-enoyl-3H-naphthalen-1-yl)ethanoate Openeye Name: benzoic acid; ethyl 2-(4,4-dimethyl-6-prop-2-enoyl-3H-naphthalen-1-yl)acetate CAS Name: benzoic acid; 2-[4,4-dimethyl-6-(1-oxoprop-2-enyl)-3H-naphthalen-1-yl]acetic acid ethyl ester IUPAC Name: benzoic acid; ethyl 2-(4,4-dimethyl-6-prop-2-enoyl-3H-naphthalen-1-yl)acetate Traditional Name: 2-(6-acryloyl-4,4-dimethyl-3H-naphthalen-1-yl)acetic acid ethyl ester; benzoic acid Formula: C26H28O5 MolecularWeight: 420.49752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CCC(C2=C1C=CC(=C2)C(=O)C=C)(C)C.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCOC(=O)CC1=CCC(C2=C1C=CC(=C2)C(=O)C=C)(C)C.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C19H22O3.C7H6O2/c1-5-17(20)14-7-8-15-13(12-18(21)22-6-2)9-10-19(3,4)16(15)11-14;8-7(9)6-4-2-1-3-5-6/h5,7-9,11H,1,6,10,12H2,2-4H3;1-5H,(H,8,9)