3-decoxy-4,5,6-tris-decyl-benzene-1,2-diolate

Systemtic Name: 3-decoxy-4,5,6-tris-decyl-benzene-1,2-diolate Openeye Name: 3-decoxy-4,5,6-tris-decyl-benzene-1,2-diolate CAS Name: 3-decoxy-4,5,6-tris-decylbenzene-1,2-diolate IUPAC Name: 3-decoxy-4,5,6-tris-decylbenzene-1,2-diolate Traditional Name: 3-decoxy-4,5,6-tris-decyl-benzene-1,2-diolate Formula: C46H84O3-2 MolecularWeight: 685.15736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C(=C(C(=C1CCCCCCCCCC)OCCCCCCCCCC)[O-])[O-])CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC1=C(C(=C(C(=C1CCCCCCCCCC)OCCCCCCCCCC)[O-])[O-])CCCCCCCCCC

InChI

InChI=1S/C46H86O3/c1-5-9-13-17-21-25-29-33-37-41-42(38-34-30-26-22-18-14-10-6-2)44(47)45(48)46(49-40-36-32-28-24-20-16-12-8-4)43(41)39-35-31-27-23-19-15-11-7-3/h47-48H,5-40H2,1-4H3/p-2