(1E)-4,8-dimethyl-1-phenyl-3-phenylsulfanyl-nona-1,7-dien-4-ol hydrate

Systemtic Name: (1E)-4,8-dimethyl-1-phenyl-3-phenylsulfanyl-nona-1,7-dien-4-ol hydrate Openeye Name: (1E)-4,8-dimethyl-1-phenyl-3-phenylsulfanyl-nona-1,7-dien-4-ol hydrate CAS Name: (1E)-4,8-dimethyl-1-phenyl-3-(phenylthio)-4-nona-1,7-dienol hydrate IUPAC Name: (1E)-4,8-dimethyl-1-phenyl-3-phenylsulfanylnona-1,7-dien-4-ol hydrate Traditional Name: (1E)-4,8-dimethyl-1-phenyl-3-(phenylthio)nona-1,7-dien-4-ol hydrate Formula: C23H30O2S MolecularWeight: 370.5481

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C)(C(C=CC1=CC=CC=C1)SC2=CC=CC=C2)O)C.O

Isomeric SMILES

CC(=CCCC(C)(C(/C=C/C1=CC=CC=C1)SC2=CC=CC=C2)O)C.O

InChI

InChI=1S/C23H28OS.H2O/c1-19(2)11-10-18-23(3,24)22(25-21-14-8-5-9-15-21)17-16-20-12-6-4-7-13-20;/h4-9,11-17,22,24H,10,18H2,1-3H3;1H2/b17-16+;