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sodium 9,10-dibutoxyanthracene-2-sulfonate

sodium 9,10-dibutoxyanthracene-2-sulfonate

Systemtic Name:sodium 9,10-dibutoxyanthracene-2-sulfonate
Openeye Name:sodium 9,10-dibutoxyanthracene-2-sulfonate
CAS Name:sodium 9,10-dibutoxy-2-anthracenesulfonate
IUPAC Name:sodium 9,10-dibutoxyanthracene-2-sulfonate
Traditional Name:sodium 9,10-dibutoxyanthracene-2-sulfonate
Formula: C22H25NaO5S
MolecularWeight: 424.48567
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C2C=CC(=CC2=C(C3=CC=CC=C31)OCCCC)S(=O)(=O)[O-].[Na+]


Isomeric SMILES

CCCCOC1=C2C=CC(=CC2=C(C3=CC=CC=C31)OCCCC)S(=O)(=O)[O-].[Na+]


InChI

InChI=1S/C22H26O5S.Na/c1-3-5-13-26-21-17-9-7-8-10-18(17)22(27-14-6-4-2)20-15-16(28(23,24)25)11-12-19(20)21;/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,24,25);/q;+1/p-1


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