2-(2-propylheptyl)benzenesulfonic acid

Systemtic Name: 2-(2-propylheptyl)benzenesulfonic acid Openeye Name: 2-(2-propylheptyl)benzenesulfonic acid CAS Name: 2-(2-propylheptyl)benzenesulfonic acid IUPAC Name: 2-(2-propylheptyl)benzenesulfonic acid Traditional Name: 2-(2-propylheptyl)besylic acid Formula: C16H26O3S MolecularWeight: 298.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC)CC1=CC=CC=C1S(=O)(=O)O

Isomeric SMILES

CCCCCC(CCC)CC1=CC=CC=C1S(=O)(=O)O

InChI

InChI=1S/C16H26O3S/c1-3-5-6-10-14(9-4-2)13-15-11-7-8-12-16(15)20(17,18)19/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3,(H,17,18,19)