sodium 3-[(E)-4-methanidyl-8-methyl-10-(2,6,6-trimethylcyclohex-2-en-1-yl)dec-7-enyl]furan sulfate

Systemtic Name: sodium 3-[(E)-4-methanidyl-8-methyl-10-(2,6,6-trimethylcyclohex-2-en-1-yl)dec-7-enyl]furan sulfate Openeye Name: sodium 3-[(E)-4-methanidyl-8-methyl-10-(2,6,6-trimethylcyclohex-2-en-1-yl)dec-7-enyl]furan sulfate CAS Name: sodium 3-[(E)-4-methanidyl-8-methyl-10-(2,6,6-trimethyl-1-cyclohex-2-enyl)dec-7-enyl]furan sulfate IUPAC Name: sodium 3-[(E)-4-methanidyl-8-methyl-10-(2,6,6-trimethylcyclohex-2-en-1-yl)dec-7-enyl]furan sulfate Traditional Name: sodium 3-[(E)-4-methanidyl-8-methyl-10-(2,6,6-trimethylcyclohex-2-en-1-yl)dec-7-enyl]furan sulfate Formula: C25H39NaO5S-2 MolecularWeight: 474.62893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCCC(C1CCC(=CCCC([CH2-])CCCC2=COC=C2)C)(C)C.[O-]S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CCCC(C1CC/C(=C/CCC([CH2-])CCCC2=COC=C2)/C)(C)C.[O-]S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C25H39O.Na.H2O4S/c1-20(11-7-13-23-16-18-26-19-23)9-6-10-21(2)14-15-24-22(3)12-8-17-25(24,4)5;;1-5(2,3)4/h10,12,16,18-20,24H,1,6-9,11,13-15,17H2,2-5H3;;(H2,1,2,3,4)/q-1;+1;/p-2/b21-10+;;