4-[(3S,4R)-4-[4-(3-chloranyl-2-oxidanyl-propoxy)phenyl]hexan-3-yl]phenol

Systemtic Name: 4-[(3S,4R)-4-[4-(3-chloranyl-2-oxidanyl-propoxy)phenyl]hexan-3-yl]phenol Openeye Name: 4-[(1S,2R)-2-[4-(3-chloro-2-hydroxy-propoxy)phenyl]-1-ethyl-butyl]phenol CAS Name: 4-[(3S,4R)-4-[4-(3-chloro-2-hydroxypropoxy)phenyl]hexan-3-yl]phenol IUPAC Name: 4-[(3S,4R)-4-[4-(3-chloro-2-hydroxypropoxy)phenyl]hexan-3-yl]phenol Traditional Name: 4-[(1S,2R)-2-[4-(3-chloro-2-hydroxy-propoxy)phenyl]-1-ethyl-butyl]phenol Formula: C21H27ClO3 MolecularWeight: 362.89028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)O)C(CC)C2=CC=C(C=C2)OCC(CCl)O

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)O)[C@@H](CC)C2=CC=C(C=C2)OCC(CCl)O

InChI

InChI=1S/C21H27ClO3/c1-3-20(15-5-9-17(23)10-6-15)21(4-2)16-7-11-19(12-8-16)25-14-18(24)13-22/h5-12,18,20-21,23-24H,3-4,13-14H2,1-2H3/t18?,20-,21+/m1/s1