2-[(E)-2-propylhex-1-enyl]butanedioic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CC(CC(=O)O)C(=O)O)CCC

Isomeric SMILES

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

InChI

InChI=1S/C13H22O4/c1-3-5-7-10(6-4-2)8-11(13(16)17)9-12(14)15/h8,11H,3-7,9H2,1-2H3,(H,14,15)(H,16,17)/b10-8+