calcium 2-dodecylnaphthalene-1-sulfonate

Systemtic Name: calcium 2-dodecylnaphthalene-1-sulfonate Openeye Name: calcium 2-dodecylnaphthalene-1-sulfonate CAS Name: calcium 2-dodecyl-1-naphthalenesulfonate IUPAC Name: calcium 2-dodecylnaphthalene-1-sulfonate Traditional Name: calcium 2-laurylnaphthalene-1-sulfonate Formula: C22H31CaO3S+ MolecularWeight: 415.62274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/C22H32O3S.Ca/c1-2-3-4-5-6-7-8-9-10-11-15-20-18-17-19-14-12-13-16-21(19)22(20)26(23,24)25;/h12-14,16-18H,2-11,15H2,1H3,(H,23,24,25);/q;+2/p-1