4-(6-methylheptyl)benzenesulfonate

Systemtic Name: 4-(6-methylheptyl)benzenesulfonate Openeye Name: 4-(6-methylheptyl)benzenesulfonate CAS Name: 4-(6-methylheptyl)benzenesulfonate IUPAC Name: 4-(6-methylheptyl)benzenesulfonate Traditional Name: 4-(6-methylheptyl)besylate Formula: C14H21O3S- MolecularWeight: 269.37974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)CCCCCC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C14H22O3S/c1-12(2)6-4-3-5-7-13-8-10-14(11-9-13)18(15,16)17/h8-12H,3-7H2,1-2H3,(H,15,16,17)/p-1