ethyl (E)-4-[(3S)-1,1-bis(phenylsulfonyl)nonan-3-yl]oxyhex-2-enoate

Systemtic Name: ethyl (E)-4-[(3S)-1,1-bis(phenylsulfonyl)nonan-3-yl]oxyhex-2-enoate Openeye Name: ethyl (E)-4-[(1S)-1-[2,2-bis(benzenesulfonyl)ethyl]heptoxy]hex-2-enoate CAS Name: (E)-4-[(3S)-1,1-bis(benzenesulfonyl)nonan-3-yl]oxy-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(3S)-1,1-bis(benzenesulfonyl)nonan-3-yl]oxyhex-2-enoate Traditional Name: (E)-4-[(1S)-1-(2,2-dibesylethyl)heptoxy]hex-2-enoic acid ethyl ester Formula: C29H40O7S2 MolecularWeight: 564.7537

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)OC(CC)C=CC(=O)OCC

Isomeric SMILES

CCCCCC[C@@H](CC(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)OC(CC)/C=C/C(=O)OCC

InChI

InChI=1S/C29H40O7S2/c1-4-7-8-11-16-25(36-24(5-2)21-22-28(30)35-6-3)23-29(37(31,32)26-17-12-9-13-18-26)38(33,34)27-19-14-10-15-20-27/h9-10,12-15,17-22,24-25,29H,4-8,11,16,23H2,1-3H3/b22-21+/t24?,25-/m0/s1