1,4,6,7,8-pentabutyldibenzo-p-dioxin-2,3-diolate

Systemtic Name: 1,4,6,7,8-pentabutyldibenzo-p-dioxin-2,3-diolate Openeye Name: 1,4,6,7,8-pentabutyldibenzo-p-dioxin-2,3-diolate CAS Name: 1,4,6,7,8-pentabutyldibenzo-p-dioxin-2,3-diolate IUPAC Name: 1,4,6,7,8-pentabutyldibenzo-p-dioxin-2,3-diolate Traditional Name: 1,4,6,7,8-pentabutyldibenzo-p-dioxin-2,3-diolate Formula: C32H46O4-2 MolecularWeight: 494.70524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C(=C1CCCC)CCCC)OC3=C(O2)C(=C(C(=C3CCCC)[O-])[O-])CCCC

Isomeric SMILES

CCCCC1=CC2=C(C(=C1CCCC)CCCC)OC3=C(O2)C(=C(C(=C3CCCC)[O-])[O-])CCCC

InChI

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