dodecyl 2,3-dibutylnaphthalene-1-sulfonate; sulfuric acid

Systemtic Name: dodecyl 2,3-dibutylnaphthalene-1-sulfonate; sulfuric acid Openeye Name: dodecyl 2,3-dibutylnaphthalene-1-sulfonate; sulfuric acid CAS Name: 2,3-dibutyl-1-naphthalenesulfonic acid dodecyl ester; sulfuric acid IUPAC Name: dodecyl 2,3-dibutylnaphthalene-1-sulfonate; sulfuric acid Traditional Name: 2,3-dibutylnaphthalene-1-sulfonic acid lauryl ester; sulfuric acid Formula: C30H50O7S2 MolecularWeight: 586.8438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOS(=O)(=O)C1=C(C(=CC2=CC=CC=C21)CCCC)CCCC.OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCOS(=O)(=O)C1=C(C(=CC2=CC=CC=C21)CCCC)CCCC.OS(=O)(=O)O

InChI

InChI=1S/C30H48O3S.H2O4S/c1-4-7-10-11-12-13-14-15-16-19-24-33-34(31,32)30-28(22-9-6-3)26(20-8-5-2)25-27-21-17-18-23-29(27)30;1-5(2,3)4/h17-18,21,23,25H,4-16,19-20,22,24H2,1-3H3;(H2,1,2,3,4)