O2-naphthalen-1-ylsulfanyl O1-propyl ethanedioate; 2-phenylethanamine; hydrate

Systemtic Name: O2-naphthalen-1-ylsulfanyl O1-propyl ethanedioate; 2-phenylethanamine; hydrate Openeye Name: O2-(1-naphthylsulfanyl) O1-propyl oxalate; 2-phenylethanamine; hydrate CAS Name: oxalic acid O2-(1-naphthalenylthio) ester O1-propyl ester; 2-phenylethanamine; hydrate IUPAC Name: 2-O-naphthalen-1-ylsulfanyl 1-O-propyl oxalate; 2-phenylethanamine; hydrate Traditional Name: oxalic acid O2-(1-naphthylthio) ester O1-propyl ester; phenethylamine; hydrate Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(=O)OSC1=CC=CC2=CC=CC=C21.C1=CC=C(C=C1)CCN.O

Isomeric SMILES

CCCOC(=O)C(=O)OSC1=CC=CC2=CC=CC=C21.C1=CC=C(C=C1)CCN.O

InChI

InChI=1S/C15H14O4S.C8H11N.H2O/c1-2-10-18-14(16)15(17)19-20-13-9-5-7-11-6-3-4-8-12(11)13;9-7-6-8-4-2-1-3-5-8;/h3-9H,2,10H2,1H3;1-5H,6-7,9H2;1H2