4-methyl-2,3,5-trioctyl-benzenesulfonic acid

Systemtic Name: 4-methyl-2,3,5-trioctyl-benzenesulfonic acid Openeye Name: 4-methyl-2,3,5-trioctyl-benzenesulfonic acid CAS Name: 4-methyl-2,3,5-trioctylbenzenesulfonic acid IUPAC Name: 4-methyl-2,3,5-trioctylbenzenesulfonic acid Traditional Name: 4-methyl-2,3,5-trioctyl-besylic acid Formula: C31H56O3S MolecularWeight: 508.83954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C(=C1C)CCCCCCCC)CCCCCCCC)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCC1=CC(=C(C(=C1C)CCCCCCCC)CCCCCCCC)S(=O)(=O)O

InChI

InChI=1S/C31H56O3S/c1-5-8-11-14-17-20-23-28-26-31(35(32,33)34)30(25-22-19-16-13-10-7-3)29(27(28)4)24-21-18-15-12-9-6-2/h26H,5-25H2,1-4H3,(H,32,33,34)