1-[2-(2-ethylhexyl)phenyl]heptane-1-sulfonic acid

Systemtic Name: 1-[2-(2-ethylhexyl)phenyl]heptane-1-sulfonic acid Openeye Name: 1-[2-(2-ethylhexyl)phenyl]heptane-1-sulfonic acid CAS Name: 1-[2-(2-ethylhexyl)phenyl]-1-heptanesulfonic acid IUPAC Name: 1-[2-(2-ethylhexyl)phenyl]heptane-1-sulfonic acid Traditional Name: 1-[2-(2-ethylhexyl)phenyl]heptane-1-sulfonic acid Formula: C21H36O3S MolecularWeight: 368.57374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=CC=CC=C1CC(CC)CCCC)S(=O)(=O)O

Isomeric SMILES

CCCCCCC(C1=CC=CC=C1CC(CC)CCCC)S(=O)(=O)O

InChI

InChI=1S/C21H36O3S/c1-4-7-9-10-16-21(25(22,23)24)20-15-12-11-14-19(20)17-18(6-3)13-8-5-2/h11-12,14-15,18,21H,4-10,13,16-17H2,1-3H3,(H,22,23,24)