1,3-diisocyanato-2-methyl-benzene; methanal; 2-methyloxirane; 4-nonylphenol; oxirane

Systemtic Name: 1,3-diisocyanato-2-methyl-benzene; methanal; 2-methyloxirane; 4-nonylphenol; oxirane Openeye Name: 1,3-diisocyanato-2-methyl-benzene; formaldehyde; 2-methyloxirane; 4-nonylphenol; oxirane CAS Name: 1,3-diisocyanato-2-methylbenzene; formaldehyde; 2-methyloxirane; 4-nonylphenol; oxirane IUPAC Name: 1,3-diisocyanato-2-methylbenzene; formaldehyde; 2-methyloxirane; 4-nonylphenol; oxirane Traditional Name: 1,3-diisocyanato-2-methyl-benzene; ethylene oxide; formaldehyde; 4-nonylphenol; propylene oxide Formula: C30H42N2O6 MolecularWeight: 526.66428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)O.CC1CO1.CC1=C(C=CC=C1N=C=O)N=C=O.C=O.C1CO1

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)O.CC1CO1.CC1=C(C=CC=C1N=C=O)N=C=O.C=O.C1CO1

InChI

InChI=1S/C15H24O.C9H6N2O2.C3H6O.C2H4O.CH2O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14;1-7-8(10-5-12)3-2-4-9(7)11-6-13;1-3-2-4-3;1-2-3-1;1-2/h10-13,16H,2-9H2,1H3;2-4H,1H3;3H,2H2,1H3;1-2H2;1H2