4-[(3S,4S)-4-(4-sulfonatophenyl)hexan-3-yl]benzenesulfonate

Systemtic Name: 4-[(3S,4S)-4-(4-sulfonatophenyl)hexan-3-yl]benzenesulfonate Openeye Name: 4-[(1S,2S)-1-ethyl-2-(4-sulfonatophenyl)butyl]benzenesulfonate CAS Name: 4-[(3S,4S)-4-(4-sulfonatophenyl)hexan-3-yl]benzenesulfonate IUPAC Name: 4-[(3S,4S)-4-(4-sulfonatophenyl)hexan-3-yl]benzenesulfonate Traditional Name: 4-[(1S,2S)-1-ethyl-2-(4-sulfonatophenyl)butyl]besylate Formula: C18H20O6S2-2 MolecularWeight: 396.4778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)S(=O)(=O)[O-])C(CC)C2=CC=C(C=C2)S(=O)(=O)[O-]

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)S(=O)(=O)[O-])[C@H](CC)C2=CC=C(C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C18H22O6S2/c1-3-17(13-5-9-15(10-6-13)25(19,20)21)18(4-2)14-7-11-16(12-8-14)26(22,23)24/h5-12,17-18H,3-4H2,1-2H3,(H,19,20,21)(H,22,23,24)/p-2/t17-,18-/m1/s1