sodium [(1R,5R,6S)-3-carboxy-5,6-bis(oxidanyl)cyclohex-2-en-1-yl] hydrogen phosphate

Systemtic Name: sodium [(1R,5R,6S)-3-carboxy-5,6-bis(oxidanyl)cyclohex-2-en-1-yl] hydrogen phosphate Openeye Name: sodium [(1R,5R,6S)-3-carboxy-5,6-dihydroxy-cyclohex-2-en-1-yl] hydrogen phosphate CAS Name: sodium [(1R,5R,6S)-3-carboxy-5,6-dihydroxy-1-cyclohex-2-enyl] hydrogen phosphate IUPAC Name: sodium [(1R,5R,6S)-3-carboxy-5,6-dihydroxycyclohex-2-en-1-yl] hydrogen phosphate Traditional Name: sodium [(1R,5R,6S)-3-carboxy-5,6-dihydroxy-cyclohex-2-en-1-yl] hydrogen phosphate Formula: C7H10NaO8P MolecularWeight: 276.113031

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C=C1C(=O)O)OP(=O)(O)[O-])O)O.[Na+]

Isomeric SMILES

C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)[O-])O)O.[Na+]

InChI

InChI=1S/C7H11O8P.Na/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14;/h2,4-6,8-9H,1H2,(H,10,11)(H2,12,13,14);/q;+1/p-1/t4-,5-,6+;/m1./s1