24-(2-methylphenyl)tetracosa-11,13-diyne-1-sulfonic acid

Systemtic Name: 24-(2-methylphenyl)tetracosa-11,13-diyne-1-sulfonic acid Openeye Name: 24-(o-tolyl)tetracosa-11,13-diyne-1-sulfonic acid CAS Name: 24-(2-methylphenyl)-1-tetracosa-11,13-diynesulfonic acid IUPAC Name: 24-(2-methylphenyl)tetracosa-11,13-diyne-1-sulfonic acid Traditional Name: 24-(o-tolyl)tetracosa-11,13-diyne-1-sulfonic acid Formula: C31H48O3S MolecularWeight: 500.77602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCCCCCCCCCC#CC#CCCCCCCCCCCS(=O)(=O)O

Isomeric SMILES

CC1=CC=CC=C1CCCCCCCCCCC#CC#CCCCCCCCCCCS(=O)(=O)O

InChI

InChI=1S/C31H48O3S/c1-30-26-23-24-28-31(30)27-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-25-29-35(32,33)34/h23-24,26,28H,6-22,25,27,29H2,1H3,(H,32,33,34)