azanium; sodium; methanal; 5-methyl-5-(1-methylcyclohexa-2,4-dien-1-yl)oxy-cyclohexa-1,3-diene; 2-(2-oxidanidylphenyl)sulfonylphenolate

Systemtic Name: azanium; sodium; methanal; 5-methyl-5-(1-methylcyclohexa-2,4-dien-1-yl)oxy-cyclohexa-1,3-diene; 2-(2-oxidanidylphenyl)sulfonylphenolate Openeye Name: ammonium; sodium; formaldehyde; 5-methyl-5-(1-methylcyclohexa-2,4-dien-1-yl)oxy-cyclohexa-1,3-diene; 2-(2-oxidophenyl)sulfonylphenolate CAS Name: ammonium; sodium; formaldehyde; 5-methyl-5-[(1-methyl-1-cyclohexa-2,4-dienyl)oxy]cyclohexa-1,3-diene; 2-(2-oxidophenyl)sulfonylphenolate IUPAC Name: azanium; sodium; formaldehyde; 5-methyl-5-(1-methylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,3-diene; 2-(2-oxidophenyl)sulfonylphenolate Traditional Name: ammonium; sodium; formaldehyde; 5-methyl-5-(1-methylcyclohexa-2,4-dien-1-yl)oxy-cyclohexa-1,3-diene; 2-(2-oxidophenyl)sulfonylphenolate Formula: C27H32NNaO6S MolecularWeight: 521.60085

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=CC=C1)OC2(CC=CC=C2)C.C=O.C1=CC=C(C(=C1)[O-])S(=O)(=O)C2=CC=CC=C2[O-].[NH4+].[Na+]

Isomeric SMILES

CC1(CC=CC=C1)OC2(CC=CC=C2)C.C=O.C1=CC=C(C(=C1)[O-])S(=O)(=O)C2=CC=CC=C2[O-].[NH4+].[Na+]

InChI

InChI=1S/C14H18O.C12H10O4S.CH2O.H3N.Na/c1-13(9-5-3-6-10-13)15-14(2)11-7-4-8-12-14;13-9-5-1-3-7-11(9)17(15,16)12-8-4-2-6-10(12)14;1-2;;/h3-9,11H,10,12H2,1-2H3;1-8,13-14H;1H2;1H3;/q;;;;+1/p-1