2-iodyl-5-[(E)-octadec-7-enyl]benzoic acid

Systemtic Name: 2-iodyl-5-[(E)-octadec-7-enyl]benzoic acid Openeye Name: 2-iodyl-5-[(E)-octadec-7-enyl]benzoic acid CAS Name: 2-iodyl-5-[(E)-octadec-7-enyl]benzoic acid IUPAC Name: 2-iodyl-5-[(E)-octadec-7-enyl]benzoic acid Traditional Name: 2-iodyl-5-[(E)-octadec-7-enyl]benzoic acid Formula: C25H39IO4 MolecularWeight: 530.47923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CCCCCCCC1=CC(=C(C=C1)I(=O)=O)C(=O)O

Isomeric SMILES

CCCCCCCCCC/C=C/CCCCCCC1=CC(=C(C=C1)I(=O)=O)C(=O)O

InChI

InChI=1S/C25H39IO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-20-24(26(29)30)23(21-22)25(27)28/h11-12,19-21H,2-10,13-18H2,1H3,(H,27,28)/b12-11+