2-[(E)-octadec-9-enyl]-1,3,2-benzodithiazole

Systemtic Name: 2-[(E)-octadec-9-enyl]-1,3,2-benzodithiazole Openeye Name: 2-[(E)-octadec-9-enyl]-1,3,2-benzodithiazole CAS Name: 2-[(E)-octadec-9-enyl]-1,3,2-benzodithiazole IUPAC Name: 2-[(E)-octadec-9-enyl]-1,3,2-benzodithiazole Traditional Name: 2-[(E)-octadec-9-enyl]-1,3,2-benzodithiazole Formula: C24H39NS2 MolecularWeight: 405.70316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCN1SC2=CC=CC=C2S1

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCN1SC2=CC=CC=C2S1

InChI

InChI=1S/C24H39NS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-26-23-20-17-18-21-24(23)27-25/h9-10,17-18,20-21H,2-8,11-16,19,22H2,1H3/b10-9+