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1,4,6-trioctyldibenzo-p-dioxin-2,3-diol

1,4,6-trioctyldibenzo-p-dioxin-2,3-diol

Systemtic Name:1,4,6-trioctyldibenzo-p-dioxin-2,3-diol
Openeye Name:1,4,6-trioctyldibenzo-p-dioxin-2,3-diol
CAS Name:1,4,6-trioctyldibenzo-p-dioxin-2,3-diol
IUPAC Name:1,4,6-trioctyldibenzo-p-dioxin-2,3-diol
Traditional Name:1,4,6-trioctyldibenzo-p-dioxin-2,3-diol
Formula: C36H56O4
MolecularWeight: 552.82744
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C2C(=CC=C1)OC3=C(C(=C(C(=C3O2)CCCCCCCC)O)O)CCCCCCCC


Isomeric SMILES

CCCCCCCCC1=C2C(=CC=C1)OC3=C(C(=C(C(=C3O2)CCCCCCCC)O)O)CCCCCCCC


InChI

InChI=1S/C36H56O4/c1-4-7-10-13-16-19-23-28-24-22-27-31-34(28)40-36-30(26-21-18-15-12-9-6-3)33(38)32(37)29(35(36)39-31)25-20-17-14-11-8-5-2/h22,24,27,37-38H,4-21,23,25-26H2,1-3H3


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