sodium; 5-methyl-1-propan-2-yl-cyclohexene; 2-oxidanylbenzenesulfonate

Systemtic Name: sodium; 5-methyl-1-propan-2-yl-cyclohexene; 2-oxidanylbenzenesulfonate Openeye Name: sodium; 2-hydroxybenzenesulfonate; 1-isopropyl-5-methyl-cyclohexene CAS Name: sodium; 2-hydroxybenzenesulfonate; 5-methyl-1-propan-2-ylcyclohexene IUPAC Name: sodium; 2-hydroxybenzenesulfonate; 5-methyl-1-propan-2-ylcyclohexene Traditional Name: sodium; 2-hydroxybesylate; 1-isopropyl-5-methyl-cyclohexene Formula: C16H23NaO4S MolecularWeight: 334.40619

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC=C(C1)C(C)C.C1=CC=C(C(=C1)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1CCC=C(C1)C(C)C.C1=CC=C(C(=C1)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H18.C6H6O4S.Na/c1-8(2)10-6-4-5-9(3)7-10;7-5-3-1-2-4-6(5)11(8,9)10;/h6,8-9H,4-5,7H2,1-3H3;1-4,7H,(H,8,9,10);/q;;+1/p-1