3-[(E)-octadec-9-enyl]pyrene-1-carboxylic acid

Systemtic Name: 3-[(E)-octadec-9-enyl]pyrene-1-carboxylic acid Openeye Name: 3-[(E)-octadec-9-enyl]pyrene-1-carboxylic acid CAS Name: 3-[(E)-octadec-9-enyl]-1-pyrenecarboxylic acid IUPAC Name: 3-[(E)-octadec-9-enyl]pyrene-1-carboxylic acid Traditional Name: 3-[(E)-octadec-9-enyl]pyrene-1-carboxylic acid Formula: C35H44O2 MolecularWeight: 496.72266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C(=C1)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C(=C1)C(=O)O

InChI

InChI=1S/C35H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-29-26-32(35(36)37)31-25-23-28-21-18-20-27-22-24-30(29)34(31)33(27)28/h9-10,18,20-26H,2-8,11-17,19H2,1H3,(H,36,37)/b10-9+