ethane-1,2-diol; 3-[7-ethyl-4-methylsulfonyloxy-5-oxidanylidene-7-(phenylmethyl)-6,8-dihydronaphthalen-2-yl]propyl methanesulfonate

Systemtic Name: ethane-1,2-diol; 3-[7-ethyl-4-methylsulfonyloxy-5-oxidanylidene-7-(phenylmethyl)-6,8-dihydronaphthalen-2-yl]propyl methanesulfonate Openeye Name: 3-(3-benzyl-3-ethyl-8-methylsulfonyloxy-1-oxo-tetralin-6-yl)propyl methanesulfonate; ethylene glycol CAS Name: ethane-1,2-diol; methanesulfonic acid 3-[7-ethyl-4-methylsulfonyloxy-5-oxo-7-(phenylmethyl)-6,8-dihydronaphthalen-2-yl]propyl ester IUPAC Name: 3-(7-benzyl-7-ethyl-4-methylsulfonyloxy-5-oxo-6,8-dihydronaphthalen-2-yl)propyl methanesulfonate; ethane-1,2-diol Traditional Name: ethylene glycol; methanesulfonic acid 3-(3-benzyl-3-ethyl-1-keto-8-methylsulfonyloxy-tetralin-6-yl)propyl ester Formula: C26H36O9S2 MolecularWeight: 556.68864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC(=CC(=C2C(=O)C1)OS(=O)(=O)C)CCCOS(=O)(=O)C)CC3=CC=CC=C3.C(CO)O

Isomeric SMILES

CCC1(CC2=CC(=CC(=C2C(=O)C1)OS(=O)(=O)C)CCCOS(=O)(=O)C)CC3=CC=CC=C3.C(CO)O

InChI

InChI=1S/C24H30O7S2.C2H6O2/c1-4-24(15-18-9-6-5-7-10-18)16-20-13-19(11-8-12-30-32(2,26)27)14-22(31-33(3,28)29)23(20)21(25)17-24;3-1-2-4/h5-7,9-10,13-14H,4,8,11-12,15-17H2,1-3H3;3-4H,1-2H2