2-[[3-azanyl-2-methoxy-5-oxidanyl-5-(sulfooxymethyl)cyclohex-2-en-1-ylidene]amino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[[3-azanyl-2-methoxy-5-oxidanyl-5-(sulfooxymethyl)cyclohex-2-en-1-ylidene]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[3-amino-5-hydroxy-2-methoxy-5-(sulfooxymethyl)cyclohex-2-en-1-ylidene]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[3-amino-5-hydroxy-2-methoxy-5-(sulfooxymethyl)-1-cyclohex-2-enylidene]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[3-amino-5-hydroxy-2-methoxy-5-(sulfooxymethyl)cyclohex-2-en-1-ylidene]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[3-amino-5-hydroxy-2-methoxy-5-(sulfoxymethyl)cyclohex-2-en-1-ylidene]amino]-3-hydroxy-butyric acid Formula: C12H20N2O9S MolecularWeight: 368.3602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)N=C1CC(CC(=C1OC)N)(COS(=O)(=O)O)O)O

Isomeric SMILES

CC(C(C(=O)O)N=C1CC(CC(=C1OC)N)(COS(=O)(=O)O)O)O

InChI

InChI=1S/C12H20N2O9S/c1-6(15)9(11(16)17)14-8-4-12(18,5-23-24(19,20)21)3-7(13)10(8)22-2/h6,9,15,18H,3-5,13H2,1-2H3,(H,16,17)(H,19,20,21)