[2,3-bis[(E)-octadec-9-enyl]phenyl]methylphosphonic acid

Systemtic Name: [2,3-bis[(E)-octadec-9-enyl]phenyl]methylphosphonic acid Openeye Name: [2,3-bis[(E)-octadec-9-enyl]phenyl]methylphosphonic acid CAS Name: [2,3-bis[(E)-octadec-9-enyl]phenyl]methylphosphonic acid IUPAC Name: [2,3-bis[(E)-octadec-9-enyl]phenyl]methylphosphonic acid Traditional Name: [2,3-bis[(E)-octadec-9-enyl]benzyl]phosphonic acid Formula: C43H77O3P MolecularWeight: 673.043441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC1=C(C(=CC=C1)CP(=O)(O)O)CCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC1=C(C(=CC=C1)CP(=O)(O)O)CCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C43H77O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-41-37-35-38-42(40-47(44,45)46)43(41)39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,35,37-38H,3-16,21-34,36,39-40H2,1-2H3,(H2,44,45,46)/b19-17+,20-18+