3-(2-heptan-2-ylphenyl)-1-methoxy-1-oxidanylidene-propane-2-sulfonic acid

Systemtic Name: 3-(2-heptan-2-ylphenyl)-1-methoxy-1-oxidanylidene-propane-2-sulfonic acid Openeye Name: 1-methoxy-3-[2-(1-methylhexyl)phenyl]-1-oxo-propane-2-sulfonic acid CAS Name: 3-(2-heptan-2-ylphenyl)-1-methoxy-1-oxo-2-propanesulfonic acid IUPAC Name: 3-(2-heptan-2-ylphenyl)-1-methoxy-1-oxopropane-2-sulfonic acid Traditional Name: 1-keto-1-methoxy-3-[2-(1-methylhexyl)phenyl]propane-2-sulfonic acid Formula: C17H26O5S MolecularWeight: 342.45034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1=CC=CC=C1CC(C(=O)OC)S(=O)(=O)O

Isomeric SMILES

CCCCCC(C)C1=CC=CC=C1CC(C(=O)OC)S(=O)(=O)O

InChI

InChI=1S/C17H26O5S/c1-4-5-6-9-13(2)15-11-8-7-10-14(15)12-16(17(18)22-3)23(19,20)21/h7-8,10-11,13,16H,4-6,9,12H2,1-3H3,(H,19,20,21)