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1,4,6,7-tetrapentyldibenzo-p-dioxin-2,3-diolate

1,4,6,7-tetrapentyldibenzo-p-dioxin-2,3-diolate

Systemtic Name:1,4,6,7-tetrapentyldibenzo-p-dioxin-2,3-diolate
Openeye Name:1,4,6,7-tetrapentyldibenzo-p-dioxin-2,3-diolate
CAS Name:1,4,6,7-tetrapentyldibenzo-p-dioxin-2,3-diolate
IUPAC Name:1,4,6,7-tetrapentyldibenzo-p-dioxin-2,3-diolate
Traditional Name:1,4,6,7-tetraamyldibenzo-p-dioxin-2,3-diolate
Formula: C32H46O4-2
MolecularWeight: 494.70524
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C2=C(C=C1)OC3=C(O2)C(=C(C(=C3CCCCC)[O-])[O-])CCCCC)CCCCC


Isomeric SMILES

CCCCCC1=C(C2=C(C=C1)OC3=C(O2)C(=C(C(=C3CCCCC)[O-])[O-])CCCCC)CCCCC


InChI

InChI=1S/C32H48O4/c1-5-9-13-17-23-21-22-27-30(24(23)18-14-10-6-2)36-32-26(20-16-12-8-4)29(34)28(33)25(31(32)35-27)19-15-11-7-3/h21-22,33-34H,5-20H2,1-4H3/p-2


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