2,3-bis(2-pentylnonyl)benzenesulfonic acid

Systemtic Name: 2,3-bis(2-pentylnonyl)benzenesulfonic acid Openeye Name: 2,3-bis(2-pentylnonyl)benzenesulfonic acid CAS Name: 2,3-bis(2-pentylnonyl)benzenesulfonic acid IUPAC Name: 2,3-bis(2-pentylnonyl)benzenesulfonic acid Traditional Name: 2,3-bis(2-amylnonyl)besylic acid Formula: C34H62O3S MolecularWeight: 550.91928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCCCC)CC1=C(C(=CC=C1)S(=O)(=O)O)CC(CCCCC)CCCCCCC

Isomeric SMILES

CCCCCCCC(CCCCC)CC1=C(C(=CC=C1)S(=O)(=O)O)CC(CCCCC)CCCCCCC

InChI

InChI=1S/C34H62O3S/c1-5-9-13-15-19-24-30(22-17-11-7-3)28-32-26-21-27-34(38(35,36)37)33(32)29-31(23-18-12-8-4)25-20-16-14-10-6-2/h21,26-27,30-31H,5-20,22-25,28-29H2,1-4H3,(H,35,36,37)