1,2,9-trioctoxydibenzothiophene

Systemtic Name: 1,2,9-trioctoxydibenzothiophene Openeye Name: 1,2,9-trioctoxydibenzothiophene CAS Name: 1,2,9-trioctoxydibenzothiophene IUPAC Name: 1,2,9-trioctoxydibenzothiophene Traditional Name: 1,2,9-trioctoxydibenzothiophene Formula: C36H56O3S MolecularWeight: 568.89304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C2C(=CC=C1)SC3=C2C(=C(C=C3)OCCCCCCCC)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=C2C(=CC=C1)SC3=C2C(=C(C=C3)OCCCCCCCC)OCCCCCCCC

InChI

InChI=1S/C36H56O3S/c1-4-7-10-13-16-19-27-37-30-23-22-24-32-34(30)35-33(40-32)26-25-31(38-28-20-17-14-11-8-5-2)36(35)39-29-21-18-15-12-9-6-3/h22-26H,4-21,27-29H2,1-3H3