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3-(11-butylhenicosan-11-yloxy)benzene-1,2-diolate

Systemtic Name:	3-(11-butylhenicosan-11-yloxy)benzene-1,2-diolate
Openeye Name:	3-(1-butyl-1-decyl-undecoxy)benzene-1,2-diolate
CAS Name:	3-(11-butylheneicosan-11-yloxy)benzene-1,2-diolate
IUPAC Name:	3-(11-butylhenicosan-11-yloxy)benzene-1,2-diolate
Traditional Name:	3-(1-butyl-1-decyl-undecoxy)benzene-1,2-diolate
Formula:	C₃₁H₅₄O₃-2
MolecularWeight:	474.75866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCC)(CCCCCCCCCC)OC1=CC=CC(=C1[O-])[O-]

Isomeric SMILES

CCCCCCCCCCC(CCCC)(CCCCCCCCCC)OC1=CC=CC(=C1[O-])[O-]

InChI

InChI=1S/C31H56O3/c1-4-7-10-12-14-16-18-20-26-31(25-9-6-3,27-21-19-17-15-13-11-8-5-2)34-29-24-22-23-28(32)30(29)33/h22-24,32-33H,4-21,25-27H2,1-3H3/p-2

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