calcium 3-dodecylbenzene-1,2-disulfonate

Systemtic Name: calcium 3-dodecylbenzene-1,2-disulfonate Openeye Name: calcium 3-dodecylbenzene-1,2-disulfonate CAS Name: calcium 3-dodecylbenzene-1,2-disulfonate IUPAC Name: calcium 3-dodecylbenzene-1,2-disulfonate Traditional Name: calcium 3-laurylbenzene-1,2-disulfonate Formula: C18H28CaO6S2 MolecularWeight: 444.61932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30O6S2.Ca/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17(25(19,20)21)18(16)26(22,23)24;/h12,14-15H,2-11,13H2,1H3,(H,19,20,21)(H,22,23,24);/q;+2/p-2