(2S)-2-(6-methoxynaphthalen-2-yl)propanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: (2S)-2-(6-methoxynaphthalen-2-yl)propanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; (2S)-2-(6-methoxy-2-naphthalenyl)propanoate IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: citric acid; (2S)-2-(6-methoxy-2-naphthyl)propionate Formula: C20H21O10- MolecularWeight: 421.37474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-].C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-].C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C14H14O3.C6H8O7/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-9H,1-2H3,(H,15,16);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-1/t9-;/m0./s1