ethenylbenzene; 2-methyloxirane; oxirane; propane-1,2,3-triol; prop-2-enenitrile; trihydrate

Systemtic Name: ethenylbenzene; 2-methyloxirane; oxirane; propane-1,2,3-triol; prop-2-enenitrile; trihydrate Openeye Name: glycerol; 2-methyloxirane; oxirane; prop-2-enenitrile; styrene; trihydrate CAS Name: 2-methyloxirane; oxirane; propane-1,2,3-triol; 2-propenenitrile; styrene; trihydrate IUPAC Name: 2-methyloxirane; oxirane; propane-1,2,3-triol; prop-2-enenitrile; styrene; trihydrate Traditional Name: acrylonitrile; ethylene oxide; glycerol; propylene oxide; styrene; trihydrate Formula: C29H55NO13 MolecularWeight: 625.7459

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Descriptors Computed from Structure

Canonical SMILES:

CC1CO1.C=CC#N.C=CC1=CC=CC=C1.C1CO1.C1CO1.C1CO1.C1CO1.C1CO1.C1CO1.C(C(CO)O)O.O.O.O

Isomeric SMILES

CC1CO1.C=CC#N.C=CC1=CC=CC=C1.C1CO1.C1CO1.C1CO1.C1CO1.C1CO1.C1CO1.C(C(CO)O)O.O.O.O

InChI

InChI=1S/C8H8.C3H3N.C3H8O3.C3H6O.6C2H4O.3H2O/c1-2-8-6-4-3-5-7-8;1-2-3-4;4-1-3(6)2-5;1-3-2-4-3;6*1-2-3-1;;;/h2-7H,1H2;2H,1H2;3-6H,1-2H2;3H,2H2,1H3;6*1-2H2;3*1H2