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1,4-dioctyldibenzo-p-dioxin-2,3-diolate

1,4-dioctyldibenzo-p-dioxin-2,3-diolate

Systemtic Name:1,4-dioctyldibenzo-p-dioxin-2,3-diolate
Openeye Name:1,4-dioctyldibenzo-p-dioxin-2,3-diolate
CAS Name:1,4-dioctyldibenzo-p-dioxin-2,3-diolate
IUPAC Name:1,4-dioctyldibenzo-p-dioxin-2,3-diolate
Traditional Name:1,4-dioctyldibenzo-p-dioxin-2,3-diolate
Formula: C28H38O4-2
MolecularWeight: 438.59892
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C2=C1OC3=CC=CC=C3O2)CCCCCCCC)[O-])[O-]


Isomeric SMILES

CCCCCCCCC1=C(C(=C(C2=C1OC3=CC=CC=C3O2)CCCCCCCC)[O-])[O-]


InChI

InChI=1S/C28H40O4/c1-3-5-7-9-11-13-17-21-25(29)26(30)22(18-14-12-10-8-6-4-2)28-27(21)31-23-19-15-16-20-24(23)32-28/h15-16,19-20,29-30H,3-14,17-18H2,1-2H3/p-2


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