sodium 5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-[2-(4-oxidanidylphenyl)ethyl]-4-oxidanylidene-2-propan-2-yl-3H-pyran-6-olate

Systemtic Name: sodium 5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-[2-(4-oxidanidylphenyl)ethyl]-4-oxidanylidene-2-propan-2-yl-3H-pyran-6-olate Openeye Name: sodium 5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-isopropyl-2-[2-(4-oxidophenyl)ethyl]-4-oxo-3H-pyran-6-olate CAS Name: sodium 5-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-2-[2-(4-oxidophenyl)ethyl]-4-oxo-2-propan-2-yl-3H-pyran-6-olate IUPAC Name: sodium 5-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-2-[2-(4-oxidophenyl)ethyl]-4-oxo-2-propan-2-yl-3H-pyran-6-olate Traditional Name: sodium 5-[(4-amino-2-tert-butyl-5-methyl-phenyl)thio]-2-isopropyl-4-keto-2-[2-(4-oxidophenyl)ethyl]-3H-pyran-6-olate Formula: C27H33NNaO4S- MolecularWeight: 490.60999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)[O-])C(C)C)[O-])C(C)(C)C)N.[Na+]

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)[O-])C(C)C)[O-])C(C)(C)C)N.[Na+]

InChI

InChI=1S/C27H35NO4S.Na/c1-16(2)27(12-11-18-7-9-19(29)10-8-18)15-22(30)24(25(31)32-27)33-23-13-17(3)21(28)14-20(23)26(4,5)6;/h7-10,13-14,16,29,31H,11-12,15,28H2,1-6H3;/q;+1/p-2