1-(4-ethylsulfanyl-6,6-diisocyanato-1-methoxy-cyclohexa-2,4-dien-1-yl)ethane-1,2-diol

Systemtic Name: 1-(4-ethylsulfanyl-6,6-diisocyanato-1-methoxy-cyclohexa-2,4-dien-1-yl)ethane-1,2-diol Openeye Name: 1-(4-ethylsulfanyl-6,6-diisocyanato-1-methoxy-cyclohexa-2,4-dien-1-yl)ethane-1,2-diol CAS Name: 1-[4-(ethylthio)-6,6-diisocyanato-1-methoxy-1-cyclohexa-2,4-dienyl]ethane-1,2-diol IUPAC Name: 1-(4-ethylsulfanyl-6,6-diisocyanato-1-methoxycyclohexa-2,4-dien-1-yl)ethane-1,2-diol Traditional Name: 1-[4-(ethylthio)-6,6-diisocyanato-1-methoxy-cyclohexa-2,4-dien-1-yl]ethane-1,2-diol Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(C(C=C1)(C(CO)O)OC)(N=C=O)N=C=O

Isomeric SMILES

CCSC1=CC(C(C=C1)(C(CO)O)OC)(N=C=O)N=C=O

InChI

InChI=1S/C13H16N2O5S/c1-3-21-10-4-5-12(20-2,11(19)7-16)13(6-10,14-8-17)15-9-18/h4-6,11,16,19H,3,7H2,1-2H3