4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]benzoic acid

Systemtic Name: 4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]benzoic acid Openeye Name: 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]benzoic acid CAS Name: 4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]benzoic acid IUPAC Name: 4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]benzoic acid Traditional Name: 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]benzoic acid Formula: C19H22O3 MolecularWeight: 298.37618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22O3/c1-3-17(13-5-7-15(8-6-13)19(21)22)18(4-2)14-9-11-16(20)12-10-14/h5-12,17-18,20H,3-4H2,1-2H3,(H,21,22)/t17-,18+/m0/s1