2-methyl-2-[(E)-oct-1-enyl]butanedioic acid

Systemtic Name: 2-methyl-2-[(E)-oct-1-enyl]butanedioic acid Openeye Name: 2-methyl-2-[(E)-oct-1-enyl]butanedioic acid CAS Name: 2-methyl-2-[(E)-oct-1-enyl]butanedioic acid IUPAC Name: 2-methyl-2-[(E)-oct-1-enyl]butanedioic acid Traditional Name: 2-methyl-2-[(E)-oct-1-enyl]succinic acid Formula: C13H22O4 MolecularWeight: 242.31138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC(C)(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCC/C=C/C(C)(CC(=O)O)C(=O)O

InChI

InChI=1S/C13H22O4/c1-3-4-5-6-7-8-9-13(2,12(16)17)10-11(14)15/h8-9H,3-7,10H2,1-2H3,(H,14,15)(H,16,17)/b9-8+