2-ethylsulfanyl-2-methyl-3-naphthalen-2-ylcarbonyl-butanedioic acid

Systemtic Name: 2-ethylsulfanyl-2-methyl-3-naphthalen-2-ylcarbonyl-butanedioic acid Openeye Name: 2-ethylsulfanyl-2-methyl-3-(naphthalene-2-carbonyl)butanedioic acid CAS Name: 2-(ethylthio)-2-methyl-3-[2-naphthalenyl(oxo)methyl]butanedioic acid IUPAC Name: 2-ethylsulfanyl-2-methyl-3-(naphthalene-2-carbonyl)butanedioic acid Traditional Name: 2-(ethylthio)-2-methyl-3-(2-naphthoyl)succinic acid Formula: C18H18O5S MolecularWeight: 346.39752

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)(C(C(=O)C1=CC2=CC=CC=C2C=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCSC(C)(C(C(=O)C1=CC2=CC=CC=C2C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C18H18O5S/c1-3-24-18(2,17(22)23)14(16(20)21)15(19)13-9-8-11-6-4-5-7-12(11)10-13/h4-10,14H,3H2,1-2H3,(H,20,21)(H,22,23)