4-(2-butylcyclohexa-1,3-dien-1-yl)butane-1-sulfonic acid

Systemtic Name: 4-(2-butylcyclohexa-1,3-dien-1-yl)butane-1-sulfonic acid Openeye Name: 4-(2-butylcyclohexa-1,3-dien-1-yl)butane-1-sulfonic acid CAS Name: 4-(2-butyl-1-cyclohexa-1,3-dienyl)-1-butanesulfonic acid IUPAC Name: 4-(2-butylcyclohexa-1,3-dien-1-yl)butane-1-sulfonic acid Traditional Name: 4-(2-butylcyclohexa-1,3-dien-1-yl)butane-1-sulfonic acid Formula: C14H24O3S MolecularWeight: 272.40356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(CCC=C1)CCCCS(=O)(=O)O

Isomeric SMILES

CCCCC1=C(CCC=C1)CCCCS(=O)(=O)O

InChI

InChI=1S/C14H24O3S/c1-2-3-8-13-9-4-5-10-14(13)11-6-7-12-18(15,16)17/h4,9H,2-3,5-8,10-12H2,1H3,(H,15,16,17)