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dicyclohexylazanium; 5-methyl-2-phenethyl-1,3-dioxepane-4,7-dione

dicyclohexylazanium; 5-methyl-2-phenethyl-1,3-dioxepane-4,7-dione

Systemtic Name:dicyclohexylazanium; 5-methyl-2-phenethyl-1,3-dioxepane-4,7-dione
Openeye Name:dicyclohexylammonium; 5-methyl-2-phenethyl-1,3-dioxepane-4,7-dione
CAS Name:dicyclohexylammonium; 5-methyl-2-phenethyl-1,3-dioxepane-4,7-dione
IUPAC Name:dicyclohexylazanium; 5-methyl-2-phenethyl-1,3-dioxepane-4,7-dione
Traditional Name:dicyclohexylammonium; 5-methyl-2-phenethyl-1,3-dioxepane-4,7-quinone
Formula: C26H40NO4+
MolecularWeight: 430.6001
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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)OC(OC1=O)CCC2=CC=CC=C2.C1CCC(CC1)[NH2+]C2CCCCC2


Isomeric SMILES

CC1CC(=O)OC(OC1=O)CCC2=CC=CC=C2.C1CCC(CC1)[NH2+]C2CCCCC2


InChI

InChI=1S/C14H16O4.C12H23N/c1-10-9-12(15)17-13(18-14(10)16)8-7-11-5-3-2-4-6-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-6,10,13H,7-9H2,1H3;11-13H,1-10H2/p+1


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