calcium 4-(7-ethylnonyl)benzenesulfonate

Systemtic Name: calcium 4-(7-ethylnonyl)benzenesulfonate Openeye Name: calcium 4-(7-ethylnonyl)benzenesulfonate CAS Name: calcium 4-(7-ethylnonyl)benzenesulfonate IUPAC Name: calcium 4-(7-ethylnonyl)benzenesulfonate Traditional Name: calcium 4-(7-ethylnonyl)besylate Formula: C34H54CaO6S2 MolecularWeight: 662.99696

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CCC(CC)CCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CCC(CC)CCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CCC(CC)CCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C17H28O3S.Ca/c2*1-3-15(4-2)9-7-5-6-8-10-16-11-13-17(14-12-16)21(18,19)20;/h2*11-15H,3-10H2,1-2H3,(H,18,19,20);/q;;+2/p-2