tetrakis(4-methoxyphenyl)boranuide; (2E)-1,3,3-trimethyl-5-nitro-2-[(E)-3-(1,3,3-trimethyl-5-nitro-indol-1-ium-2-yl)prop-2-enylidene]indole

Systemtic Name: tetrakis(4-methoxyphenyl)boranuide; (2E)-1,3,3-trimethyl-5-nitro-2-[(E)-3-(1,3,3-trimethyl-5-nitro-indol-1-ium-2-yl)prop-2-enylidene]indole Openeye Name: tetrakis(4-methoxyphenyl)boranuide; (2E)-1,3,3-trimethyl-5-nitro-2-[(E)-3-(1,3,3-trimethyl-5-nitro-indol-1-ium-2-yl)prop-2-enylidene]indoline CAS Name: tetrakis(4-methoxyphenyl)boranuide; (2E)-1,3,3-trimethyl-5-nitro-2-[(E)-3-(1,3,3-trimethyl-5-nitro-2-indol-1-iumyl)prop-2-enylidene]indole IUPAC Name: tetrakis(4-methoxyphenyl)boranuide; (2E)-1,3,3-trimethyl-5-nitro-2-[(E)-3-(1,3,3-trimethyl-5-nitroindol-1-ium-2-yl)prop-2-enylidene]indole Traditional Name: tetrakis(4-methoxyphenyl)boranuide; (2E)-1,3,3-trimethyl-5-nitro-2-[(E)-3-(1,3,3-trimethyl-5-nitro-indol-1-ium-2-yl)prop-2-enylidene]indoline Formula: C53H55BN4O8 MolecularWeight: 886.8368

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC.CC1(C2=C(C=CC(=C2)[N+](=O)[O-])[N+](=C1C=CC=C3C(C4=C(N3C)C=CC(=C4)[N+](=O)[O-])(C)C)C)C

Isomeric SMILES

[B-](C1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC.CC1(C2=C(C=CC(=C2)[N+](=O)[O-])[N+](=C1/C=C/C=C/3\C(C4=C(N3C)C=CC(=C4)[N+](=O)[O-])(C)C)C)C

InChI

InChI=1S/C28H28BO4.C25H27N4O4/c1-30-25-13-5-21(6-14-25)29(22-7-15-26(31-2)16-8-22,23-9-17-27(32-3)18-10-23)24-11-19-28(33-4)20-12-24;1-24(2)18-14-16(28(30)31)10-12-20(18)26(5)22(24)8-7-9-23-25(3,4)19-15-17(29(32)33)11-13-21(19)27(23)6/h5-20H,1-4H3;7-15H,1-6H3/q-1;+1