2-methylbenzenesulfonic acid; [(E)-3-methylundec-4-en-1-ynyl]cyclopentane

Systemtic Name: 2-methylbenzenesulfonic acid; [(E)-3-methylundec-4-en-1-ynyl]cyclopentane Openeye Name: 2-methylbenzenesulfonic acid; [(E)-3-methylundec-4-en-1-ynyl]cyclopentane CAS Name: 2-methylbenzenesulfonic acid; [(E)-3-methylundec-4-en-1-ynyl]cyclopentane IUPAC Name: 2-methylbenzenesulfonic acid; [(E)-3-methylundec-4-en-1-ynyl]cyclopentane Traditional Name: 2-methylbesylic acid; [(E)-3-methylundec-4-en-1-ynyl]cyclopentane Formula: C24H36O3S MolecularWeight: 404.60584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC(C)C#CC1CCCC1.CC1=CC=CC=C1S(=O)(=O)O

Isomeric SMILES

CCCCCC/C=C/C(C)C#CC1CCCC1.CC1=CC=CC=C1S(=O)(=O)O

InChI

InChI=1S/C17H28.C7H8O3S/c1-3-4-5-6-7-8-11-16(2)14-15-17-12-9-10-13-17;1-6-4-2-3-5-7(6)11(8,9)10/h8,11,16-17H,3-7,9-10,12-13H2,1-2H3;2-5H,1H3,(H,8,9,10)/b11-8+;