(Z,3S,4S)-7-(1,3-benzodioxol-5-yl)-4-methoxy-3-phenylmethoxy-6-phenylsulfanyl-hept-6-en-1-ol

Systemtic Name: (Z,3S,4S)-7-(1,3-benzodioxol-5-yl)-4-methoxy-3-phenylmethoxy-6-phenylsulfanyl-hept-6-en-1-ol Openeye Name: (Z,3S,4S)-7-(1,3-benzodioxol-5-yl)-3-benzyloxy-4-methoxy-6-phenylsulfanyl-hept-6-en-1-ol CAS Name: (Z,3S,4S)-7-(1,3-benzodioxol-5-yl)-4-methoxy-3-phenylmethoxy-6-(phenylthio)-6-hepten-1-ol IUPAC Name: (Z,3S,4S)-7-(1,3-benzodioxol-5-yl)-4-methoxy-3-phenylmethoxy-6-phenylsulfanylhept-6-en-1-ol Traditional Name: (Z,3S,4S)-7-(1,3-benzodioxol-5-yl)-3-benzoxy-4-methoxy-6-(phenylthio)hept-6-en-1-ol Formula: C28H30O5S MolecularWeight: 478.5998

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC(=CC1=CC2=C(C=C1)OCO2)SC3=CC=CC=C3)C(CCO)OCC4=CC=CC=C4

Isomeric SMILES

CO[C@@H](C/C(=C/C1=CC2=C(C=C1)OCO2)/SC3=CC=CC=C3)[C@H](CCO)OCC4=CC=CC=C4

InChI

InChI=1S/C28H30O5S/c1-30-27(26(14-15-29)31-19-21-8-4-2-5-9-21)18-24(34-23-10-6-3-7-11-23)16-22-12-13-25-28(17-22)33-20-32-25/h2-13,16-17,26-27,29H,14-15,18-20H2,1H3/b24-16-/t26-,27-/m0/s1