2-butyl-3-(6-methylheptyl)benzenesulfonic acid

Systemtic Name: 2-butyl-3-(6-methylheptyl)benzenesulfonic acid Openeye Name: 2-butyl-3-(6-methylheptyl)benzenesulfonic acid CAS Name: 2-butyl-3-(6-methylheptyl)benzenesulfonic acid IUPAC Name: 2-butyl-3-(6-methylheptyl)benzenesulfonic acid Traditional Name: 2-butyl-3-(6-methylheptyl)besylic acid Formula: C18H30O3S MolecularWeight: 326.494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC=C1S(=O)(=O)O)CCCCCC(C)C

Isomeric SMILES

CCCCC1=C(C=CC=C1S(=O)(=O)O)CCCCCC(C)C

InChI

InChI=1S/C18H30O3S/c1-4-5-13-17-16(11-8-6-7-10-15(2)3)12-9-14-18(17)22(19,20)21/h9,12,14-15H,4-8,10-11,13H2,1-3H3,(H,19,20,21)