O1-butyl O2-naphthalen-2-ylsulfanyl ethanedioate; 2-phenylethanamine

Systemtic Name: O1-butyl O2-naphthalen-2-ylsulfanyl ethanedioate; 2-phenylethanamine Openeye Name: O1-butyl O2-(2-naphthylsulfanyl) oxalate; 2-phenylethanamine CAS Name: oxalic acid O1-butyl ester O2-(2-naphthalenylthio) ester; 2-phenylethanamine IUPAC Name: 1-O-butyl 2-O-naphthalen-2-ylsulfanyl oxalate; 2-phenylethanamine Traditional Name: oxalic acid O1-butyl ester O2-(2-naphthylthio) ester; phenethylamine Formula: C24H27NO4S MolecularWeight: 425.54048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=O)OSC1=CC2=CC=CC=C2C=C1.C1=CC=C(C=C1)CCN

Isomeric SMILES

CCCCOC(=O)C(=O)OSC1=CC2=CC=CC=C2C=C1.C1=CC=C(C=C1)CCN

InChI

InChI=1S/C16H16O4S.C8H11N/c1-2-3-10-19-15(17)16(18)20-21-14-9-8-12-6-4-5-7-13(12)11-14;9-7-6-8-4-2-1-3-5-8/h4-9,11H,2-3,10H2,1H3;1-5H,6-7,9H2