2-[(3-ethoxycarbonyl-6-oxidanyl-5-pentan-3-yloxy-cyclohex-3-en-1-yl)iminomethyl]benzenesulfonic acid

Systemtic Name: 2-[(3-ethoxycarbonyl-6-oxidanyl-5-pentan-3-yloxy-cyclohex-3-en-1-yl)iminomethyl]benzenesulfonic acid Openeye Name: 2-[[3-ethoxycarbonyl-5-(1-ethylpropoxy)-6-hydroxy-cyclohex-3-en-1-yl]iminomethyl]benzenesulfonic acid CAS Name: 2-[(3-ethoxycarbonyl-6-hydroxy-5-pentan-3-yloxy-1-cyclohex-3-enyl)iminomethyl]benzenesulfonic acid IUPAC Name: 2-[(3-ethoxycarbonyl-6-hydroxy-5-pentan-3-yloxycyclohex-3-en-1-yl)iminomethyl]benzenesulfonic acid Traditional Name: 2-[[3-carbethoxy-5-(1-ethylpropoxy)-6-hydroxy-cyclohex-3-en-1-yl]iminomethyl]besylic acid Formula: C21H29NO7S MolecularWeight: 439.52246

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1O)N=CC2=CC=CC=C2S(=O)(=O)O)C(=O)OCC

Isomeric SMILES

CCC(CC)OC1C=C(CC(C1O)N=CC2=CC=CC=C2S(=O)(=O)O)C(=O)OCC

InChI

InChI=1S/C21H29NO7S/c1-4-16(5-2)29-18-12-15(21(24)28-6-3)11-17(20(18)23)22-13-14-9-7-8-10-19(14)30(25,26)27/h7-10,12-13,16-18,20,23H,4-6,11H2,1-3H3,(H,25,26,27)