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3,9-dimethyl-6,6-dioctyl-benzo[d][1,3]benzodioxepine

3,9-dimethyl-6,6-dioctyl-benzo[d][1,3]benzodioxepine

Systemtic Name:3,9-dimethyl-6,6-dioctyl-benzo[d][1,3]benzodioxepine
Openeye Name:3,9-dimethyl-6,6-dioctyl-benzo[d][1,3]benzodioxepine
CAS Name:3,9-dimethyl-6,6-dioctylbenzo[d][1,3]benzodioxepin
IUPAC Name:3,9-dimethyl-6,6-dioctylbenzo[d][1,3]benzodioxepine
Traditional Name:3,9-dimethyl-6,6-dioctyl-benzo[d][1,3]benzodioxepin
Formula: C31H46O2
MolecularWeight: 450.69574
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(OC2=C(C=CC(=C2)C)C3=C(O1)C=C(C=C3)C)CCCCCCCC


Isomeric SMILES

CCCCCCCCC1(OC2=C(C=CC(=C2)C)C3=C(O1)C=C(C=C3)C)CCCCCCCC


InChI

InChI=1S/C31H46O2/c1-5-7-9-11-13-15-21-31(22-16-14-12-10-8-6-2)32-29-23-25(3)17-19-27(29)28-20-18-26(4)24-30(28)33-31/h17-20,23-24H,5-16,21-22H2,1-4H3


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