4-[(2R,3S)-3-cyclohexyl-6-phenylmethoxy-2,3-dihydro-1,4-benzoxathiin-2-yl]phenol

Systemtic Name: 4-[(2R,3S)-3-cyclohexyl-6-phenylmethoxy-2,3-dihydro-1,4-benzoxathiin-2-yl]phenol Openeye Name: 4-[(2R,3S)-6-benzyloxy-3-cyclohexyl-2,3-dihydro-1,4-benzoxathiin-2-yl]phenol CAS Name: 4-[(2R,3S)-3-cyclohexyl-6-phenylmethoxy-2,3-dihydro-1,4-benzoxathiin-2-yl]phenol IUPAC Name: 4-[(2R,3S)-3-cyclohexyl-6-phenylmethoxy-2,3-dihydro-1,4-benzoxathiin-2-yl]phenol Traditional Name: 4-[(2R,3S)-6-benzoxy-3-cyclohexyl-2,3-dihydro-1,4-benzoxathiin-2-yl]phenol Formula: C27H28O3S MolecularWeight: 432.57442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2C(OC3=C(S2)C=C(C=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)O

Isomeric SMILES

C1CCC(CC1)[C@H]2[C@H](OC3=C(S2)C=C(C=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)O

InChI

InChI=1S/C27H28O3S/c28-22-13-11-20(12-14-22)26-27(21-9-5-2-6-10-21)31-25-17-23(15-16-24(25)30-26)29-18-19-7-3-1-4-8-19/h1,3-4,7-8,11-17,21,26-28H,2,5-6,9-10,18H2/t26-,27+/m1/s1