2-(1,3-benzoxazol-2-ylsulfanyl)butanedioate; dicyclohexylazanium

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)butanedioate; dicyclohexylazanium Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)butanedioate; dicyclohexylammonium CAS Name: 2-(1,3-benzoxazol-2-ylthio)butanedioate; dicyclohexylammonium IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)butanedioate; dicyclohexylazanium Traditional Name: 2-(1,3-benzoxazol-2-ylthio)succinate; dicyclohexylammonium Formula: C23H31N2O5S- MolecularWeight: 447.56764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]C2CCCCC2.C1=CC=C2C(=C1)N=C(O2)SC(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)[NH2+]C2CCCCC2.C1=CC=C2C(=C1)N=C(O2)SC(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H23N.C11H9NO5S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;13-9(14)5-8(10(15)16)18-11-12-6-3-1-2-4-7(6)17-11/h11-13H,1-10H2;1-4,8H,5H2,(H,13,14)(H,15,16)/p-1