4-(4,4-dimethyl-3-methylidene-pent-1-ynyl)phthalic acid

Systemtic Name: 4-(4,4-dimethyl-3-methylidene-pent-1-ynyl)phthalic acid Openeye Name: 4-(4,4-dimethyl-3-methylene-pent-1-ynyl)phthalic acid CAS Name: 4-(4,4-dimethyl-3-methylenepent-1-ynyl)phthalic acid IUPAC Name: 4-(4,4-dimethyl-3-methylidenepent-1-ynyl)phthalic acid Traditional Name: 4-(3-tert-butylbut-3-en-1-ynyl)phthalic acid Formula: C16H16O4 MolecularWeight: 272.29584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=C)C#CC1=CC(=C(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C(=C)C#CC1=CC(=C(C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C16H16O4/c1-10(16(2,3)4)5-6-11-7-8-12(14(17)18)13(9-11)15(19)20/h7-9H,1H2,2-4H3,(H,17,18)(H,19,20)