disodium 6-methylheptylbenzene sulfate

Systemtic Name: disodium 6-methylheptylbenzene sulfate Openeye Name: disodium 6-methylheptylbenzene sulfate CAS Name: disodium 6-methylheptylbenzene sulfate IUPAC Name: disodium 6-methylheptylbenzene sulfate Traditional Name: disodium 6-methylheptylbenzene sulfate Formula: C14H22Na2O4S MolecularWeight: 332.36662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC1=CC=CC=C1.[O-]S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)CCCCCC1=CC=CC=C1.[O-]S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C14H22.2Na.H2O4S/c1-13(2)9-5-3-6-10-14-11-7-4-8-12-14;;;1-5(2,3)4/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3;;;(H2,1,2,3,4)/q;2*+1;/p-2