2-[(E)-2,4-dimethylhept-1-enyl]butanedioic acid

Systemtic Name: 2-[(E)-2,4-dimethylhept-1-enyl]butanedioic acid Openeye Name: 2-[(E)-2,4-dimethylhept-1-enyl]butanedioic acid CAS Name: 2-[(E)-2,4-dimethylhept-1-enyl]butanedioic acid IUPAC Name: 2-[(E)-2,4-dimethylhept-1-enyl]butanedioic acid Traditional Name: 2-[(E)-2,4-dimethylhept-1-enyl]succinic acid Formula: C13H22O4 MolecularWeight: 242.31138

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CC(=CC(CC(=O)O)C(=O)O)C

Isomeric SMILES

CCCC(C)C/C(=C/C(CC(=O)O)C(=O)O)/C

InChI

InChI=1S/C13H22O4/c1-4-5-9(2)6-10(3)7-11(13(16)17)8-12(14)15/h7,9,11H,4-6,8H2,1-3H3,(H,14,15)(H,16,17)/b10-7+