4-(3,3-dimethyltridecanoyl)benzenesulfonic acid

Systemtic Name: 4-(3,3-dimethyltridecanoyl)benzenesulfonic acid Openeye Name: 4-(3,3-dimethyltridecanoyl)benzenesulfonic acid CAS Name: 4-(3,3-dimethyl-1-oxotridecyl)benzenesulfonic acid IUPAC Name: 4-(3,3-dimethyltridecanoyl)benzenesulfonic acid Traditional Name: 4-(3,3-dimethyltridecanoyl)besylic acid Formula: C21H34O4S MolecularWeight: 382.55726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)(C)CC(=O)C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCC(C)(C)CC(=O)C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C21H34O4S/c1-4-5-6-7-8-9-10-11-16-21(2,3)17-20(22)18-12-14-19(15-13-18)26(23,24)25/h12-15H,4-11,16-17H2,1-3H3,(H,23,24,25)