2-methylbuta-1,3-diene; 4-oxidanylbenzoate

Systemtic Name: 2-methylbuta-1,3-diene; 4-oxidanylbenzoate Openeye Name: 4-hydroxybenzoate; isoprene CAS Name: 4-hydroxybenzoate; 2-methylbuta-1,3-diene IUPAC Name: 4-hydroxybenzoate; 2-methylbuta-1,3-diene Traditional Name: 4-hydroxybenzoate; isoprene Formula: C12H13O3- MolecularWeight: 205.22982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O3.C5H8/c8-6-3-1-5(2-4-6)7(9)10;1-4-5(2)3/h1-4,8H,(H,9,10);4H,1-2H2,3H3/p-1