1,4,6-tripentyldibenzo-p-dioxin-2,3-diolate

Systemtic Name: 1,4,6-tripentyldibenzo-p-dioxin-2,3-diolate Openeye Name: 1,4,6-tripentyldibenzo-p-dioxin-2,3-diolate CAS Name: 1,4,6-tripentyldibenzo-p-dioxin-2,3-diolate IUPAC Name: 1,4,6-tripentyldibenzo-p-dioxin-2,3-diolate Traditional Name: 1,4,6-triamyldibenzo-p-dioxin-2,3-diolate Formula: C27H36O4-2 MolecularWeight: 424.57234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C2C(=CC=C1)OC3=C(O2)C(=C(C(=C3CCCCC)[O-])[O-])CCCCC

Isomeric SMILES

CCCCCC1=C2C(=CC=C1)OC3=C(O2)C(=C(C(=C3CCCCC)[O-])[O-])CCCCC

InChI

InChI=1S/C27H38O4/c1-4-7-10-14-19-15-13-18-22-25(19)31-27-21(17-12-9-6-3)24(29)23(28)20(26(27)30-22)16-11-8-5-2/h13,15,18,28-29H,4-12,14,16-17H2,1-3H3/p-2