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

Systemtic Name: 1,4,6-triheptyldibenzo-p-dioxin-2,3-diolate Openeye Name: 1,4,6-triheptyldibenzo-p-dioxin-2,3-diolate CAS Name: 1,4,6-triheptyldibenzo-p-dioxin-2,3-diolate IUPAC Name: 1,4,6-triheptyldibenzo-p-dioxin-2,3-diolate Traditional Name: 1,4,6-triheptyldibenzo-p-dioxin-2,3-diolate Formula: C33H48O4-2 MolecularWeight: 508.73182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C2C(=CC=C1)OC3=C(O2)C(=C(C(=C3CCCCCCC)[O-])[O-])CCCCCCC

Isomeric SMILES

CCCCCCCC1=C2C(=CC=C1)OC3=C(O2)C(=C(C(=C3CCCCCCC)[O-])[O-])CCCCCCC

InChI

InChI=1S/C33H50O4/c1-4-7-10-13-16-20-25-21-19-24-28-31(25)37-33-27(23-18-15-12-9-6-3)30(35)29(34)26(32(33)36-28)22-17-14-11-8-5-2/h19,21,24,34-35H,4-18,20,22-23H2,1-3H3/p-2