3-(2-carboxyethylsulfanyl)-3-(7-dodecylnaphthalen-1-yl)propanoic acid

Systemtic Name: 3-(2-carboxyethylsulfanyl)-3-(7-dodecylnaphthalen-1-yl)propanoic acid Openeye Name: 3-(2-carboxyethylsulfanyl)-3-(7-dodecyl-1-naphthyl)propanoic acid CAS Name: 3-(2-carboxyethylthio)-3-(7-dodecyl-1-naphthalenyl)propanoic acid IUPAC Name: 3-(2-carboxyethylsulfanyl)-3-(7-dodecylnaphthalen-1-yl)propanoic acid Traditional Name: 3-(2-carboxyethylthio)-3-(7-lauryl-1-naphthyl)propionic acid Formula: C28H40O4S MolecularWeight: 472.6798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC2=C(C=CC=C2C(CC(=O)O)SCCC(=O)O)C=C1

Isomeric SMILES

CCCCCCCCCCCCC1=CC2=C(C=CC=C2C(CC(=O)O)SCCC(=O)O)C=C1

InChI

InChI=1S/C28H40O4S/c1-2-3-4-5-6-7-8-9-10-11-13-22-16-17-23-14-12-15-24(25(23)20-22)26(21-28(31)32)33-19-18-27(29)30/h12,14-17,20,26H,2-11,13,18-19,21H2,1H3,(H,29,30)(H,31,32)