4-dodecan-6-ylbenzenesulfonic acid

Systemtic Name: 4-dodecan-6-ylbenzenesulfonic acid Openeye Name: 4-(1-pentylheptyl)benzenesulfonic acid CAS Name: 4-dodecan-6-ylbenzenesulfonic acid IUPAC Name: 4-dodecan-6-ylbenzenesulfonic acid Traditional Name: 4-(1-amylheptyl)besylic acid Formula: C18H30O3S MolecularWeight: 326.494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCC)C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCC(CCCCC)C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C18H30O3S/c1-3-5-7-9-11-16(10-8-6-4-2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)