2,3-bis(aziridin-1-yl)-5-hexadecylsulfonyl-naphthalene-1,4-dione

Systemtic Name: 2,3-bis(aziridin-1-yl)-5-hexadecylsulfonyl-naphthalene-1,4-dione Openeye Name: 2,3-bis(aziridin-1-yl)-5-hexadecylsulfonyl-naphthalene-1,4-dione CAS Name: 2,3-bis(1-aziridinyl)-5-hexadecylsulfonylnaphthalene-1,4-dione IUPAC Name: 2,3-bis(aziridin-1-yl)-5-hexadecylsulfonylnaphthalene-1,4-dione Traditional Name: 5-cetylsulfonyl-2,3-diethylenimino-1,4-naphthoquinone Formula: C30H44N2O4S MolecularWeight: 528.74636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)C1=CC=CC2=C1C(=O)C(=C(C2=O)N3CC3)N4CC4

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)C1=CC=CC2=C1C(=O)C(=C(C2=O)N3CC3)N4CC4

InChI

InChI=1S/C30H44N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-37(35,36)25-18-16-17-24-26(25)30(34)28(32-21-22-32)27(29(24)33)31-19-20-31/h16-18H,2-15,19-23H2,1H3