1-butan-2-ylcyclohexa-3,5-diene-1,2-dicarboxylic acid

Systemtic Name: 1-butan-2-ylcyclohexa-3,5-diene-1,2-dicarboxylic acid Openeye Name: 1-sec-butylcyclohexa-3,5-diene-1,2-dicarboxylic acid CAS Name: 1-butan-2-ylcyclohexa-3,5-diene-1,2-dicarboxylic acid IUPAC Name: 1-butan-2-ylcyclohexa-3,5-diene-1,2-dicarboxylic acid Traditional Name: 1-sec-butylcyclohexa-3,5-diene-1,2-dicarboxylic acid Formula: C12H16O4 MolecularWeight: 224.25304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1(C=CC=CC1C(=O)O)C(=O)O

Isomeric SMILES

CCC(C)C1(C=CC=CC1C(=O)O)C(=O)O

InChI

InChI=1S/C12H16O4/c1-3-8(2)12(11(15)16)7-5-4-6-9(12)10(13)14/h4-9H,3H2,1-2H3,(H,13,14)(H,15,16)