2-(carboxymethylamino)ethanoic acid; 2,6-dimethyl-4-(4-phenylmethoxyphenyl)sulfonyl-phenol

Systemtic Name: 2-(carboxymethylamino)ethanoic acid; 2,6-dimethyl-4-(4-phenylmethoxyphenyl)sulfonyl-phenol Openeye Name: 4-(4-benzyloxyphenyl)sulfonyl-2,6-dimethyl-phenol; 2-(carboxymethylamino)acetic acid CAS Name: 2-(carboxymethylamino)acetic acid; 2,6-dimethyl-4-(4-phenylmethoxyphenyl)sulfonylphenol IUPAC Name: 2-(carboxymethylamino)acetic acid; 2,6-dimethyl-4-(4-phenylmethoxyphenyl)sulfonylphenol Traditional Name: 4-(4-benzoxyphenyl)sulfonyl-2,6-dimethyl-phenol; 2-(carboxymethylamino)acetic acid Formula: C25H27NO8S MolecularWeight: 501.54878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3.C(C(=O)O)NCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1O)C)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3.C(C(=O)O)NCC(=O)O

InChI

InChI=1S/C21H20O4S.C4H7NO4/c1-15-12-20(13-16(2)21(15)22)26(23,24)19-10-8-18(9-11-19)25-14-17-6-4-3-5-7-17;6-3(7)1-5-2-4(8)9/h3-13,22H,14H2,1-2H3;5H,1-2H2,(H,6,7)(H,8,9)