sodium; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; methanal; oxidanylmethanesulfonate

Systemtic Name: sodium; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; methanal; oxidanylmethanesulfonate Openeye Name: sodium; formaldehyde; hydroxymethanesulfonate; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol CAS Name: sodium; formaldehyde; hydroxymethanesulfonate; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol IUPAC Name: sodium; formaldehyde; hydroxymethanesulfonate; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol Traditional Name: sodium; formaldehyde; hydroxymethanesulfonate; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol Formula: C17H21NaO7S MolecularWeight: 392.39921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16O2.CH4O4S.CH2O.Na/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;2-1-6(3,4)5;1-2;/h3-10,16-17H,1-2H3;2H,1H2,(H,3,4,5);1H2;/q;;;+1/p-1