benzenesulfonic acid; 4-[2-(dimethylamino)-1-(1-oxidanylcyclohexyl)ethyl]phenol

Systemtic Name: benzenesulfonic acid; 4-[2-(dimethylamino)-1-(1-oxidanylcyclohexyl)ethyl]phenol Openeye Name: benzenesulfonic acid; 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol CAS Name: benzenesulfonic acid; 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol IUPAC Name: benzenesulfonic acid; 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol Traditional Name: besylic acid; 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol Formula: C22H31NO5S MolecularWeight: 421.55024

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C16H25NO2.C6H6O3S/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;7-10(8,9)6-4-2-1-3-5-6/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-5H,(H,7,8,9)