[2,5-diazido-1,6-bis(naphthalen-2-ylsulfanyl)-4-oxidanyl-hexan-3-yl] methanesulfonate

Systemtic Name: [2,5-diazido-1,6-bis(naphthalen-2-ylsulfanyl)-4-oxidanyl-hexan-3-yl] methanesulfonate Openeye Name: [3-azido-1-[1-azido-2-(2-naphthylsulfanyl)ethyl]-2-hydroxy-4-(2-naphthylsulfanyl)butyl] methanesulfonate CAS Name: methanesulfonic acid [2,5-diazido-4-hydroxy-1,6-bis(2-naphthalenylthio)hexan-3-yl] ester IUPAC Name: [2,5-diazido-4-hydroxy-1,6-bis(naphthalen-2-ylsulfanyl)hexan-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-azido-1-[1-azido-2-(2-naphthylthio)ethyl]-2-hydroxy-4-(2-naphthylthio)butyl] ester Formula: C27H26N6O4S3 MolecularWeight: 594.72814

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(C(CSC1=CC2=CC=CC=C2C=C1)N=[N+]=[N-])C(C(CSC3=CC4=CC=CC=C4C=C3)N=[N+]=[N-])O

Isomeric SMILES

CS(=O)(=O)OC(C(CSC1=CC2=CC=CC=C2C=C1)N=[N+]=[N-])C(C(CSC3=CC4=CC=CC=C4C=C3)N=[N+]=[N-])O

InChI

InChI=1S/C27H26N6O4S3/c1-40(35,36)37-27(25(31-33-29)17-39-23-13-11-19-7-3-5-9-21(19)15-23)26(34)24(30-32-28)16-38-22-12-10-18-6-2-4-8-20(18)14-22/h2-15,24-27,34H,16-17H2,1H3