N-heptyl-4-[4-(heptylamino)-3-nitro-phenyl]sulfonyl-2-nitro-aniline

Systemtic Name: N-heptyl-4-[4-(heptylamino)-3-nitro-phenyl]sulfonyl-2-nitro-aniline Openeye Name: N-heptyl-4-[4-(heptylamino)-3-nitro-phenyl]sulfonyl-2-nitro-aniline CAS Name: N-heptyl-4-[4-(heptylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline IUPAC Name: N-heptyl-4-[4-(heptylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline Traditional Name: heptyl-[4-[4-(heptylamino)-3-nitro-phenyl]sulfonyl-2-nitro-phenyl]amine Formula: C26H38N4O6S MolecularWeight: 534.66812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCCCCC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCNC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCCCCC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H38N4O6S/c1-3-5-7-9-11-17-27-23-15-13-21(19-25(23)29(31)32)37(35,36)22-14-16-24(26(20-22)30(33)34)28-18-12-10-8-6-4-2/h13-16,19-20,27-28H,3-12,17-18H2,1-2H3