(4-cyclooctyloxyphenyl)-thiophen-3-yl-methanone dihydrate

Systemtic Name: (4-cyclooctyloxyphenyl)-thiophen-3-yl-methanone dihydrate Openeye Name: [4-(cyclooctoxy)phenyl]-(3-thienyl)methanone dihydrate CAS Name: (4-cyclooctyloxyphenyl)-(3-thiophenyl)methanone dihydrate IUPAC Name: (4-cyclooctyloxyphenyl)-thiophen-3-ylmethanone dihydrate Traditional Name: [4-(cyclooctoxy)phenyl]-(3-thienyl)methanone dihydrate Formula: C19H26O4S MolecularWeight: 350.47234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)OC2=CC=C(C=C2)C(=O)C3=CSC=C3.O.O

Isomeric SMILES

C1CCCC(CCC1)OC2=CC=C(C=C2)C(=O)C3=CSC=C3.O.O

InChI

InChI=1S/C19H22O2S.2H2O/c20-19(16-12-13-22-14-16)15-8-10-18(11-9-15)21-17-6-4-2-1-3-5-7-17;;/h8-14,17H,1-7H2;2*1H2