2-[(E)-nonadec-12-enyl]-6-oxidanyl-benzoic acid

Systemtic Name: 2-[(E)-nonadec-12-enyl]-6-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-6-[(E)-nonadec-12-enyl]benzoic acid CAS Name: 2-hydroxy-6-[(E)-nonadec-12-enyl]benzoic acid IUPAC Name: 2-hydroxy-6-[(E)-nonadec-12-enyl]benzoic acid Traditional Name: 2-hydroxy-6-[(E)-nonadec-12-enyl]benzoic acid Formula: C26H42O3 MolecularWeight: 402.60988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O

Isomeric SMILES

CCCCCC/C=C/CCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O

InChI

InChI=1S/C26H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22-24(27)25(23)26(28)29/h7-8,19,21-22,27H,2-6,9-18,20H2,1H3,(H,28,29)/b8-7+