4-[[4-[3-[[4,6-bis[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]propylamino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonic acid

Systemtic Name: 4-[[4-[3-[[4,6-bis[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]propylamino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Openeye Name: 4-[[4-[3-[[4,6-bis(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]propylamino]-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid CAS Name: 4-[[4-[3-[[4,6-bis(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]propylamino]-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid IUPAC Name: 4-[[4-[3-[[4,6-bis(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]propylamino]-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Traditional Name: 4-[[4-[3-[[4,6-bis(4-sulfoanilino)-s-triazin-2-yl]amino]propylamino]-6-(4-sulfoanilino)-s-triazin-2-yl]amino]besylic acid Formula: C33H32N12O12S4 MolecularWeight: 916.94038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=NC(=N2)NCCCNC3=NC(=NC(=N3)NC4=CC=C(C=C4)S(=O)(=O)O)NC5=CC=C(C=C5)S(=O)(=O)O)NC6=CC=C(C=C6)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=NC(=N2)NCCCNC3=NC(=NC(=N3)NC4=CC=C(C=C4)S(=O)(=O)O)NC5=CC=C(C=C5)S(=O)(=O)O)NC6=CC=C(C=C6)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C33H32N12O12S4/c46-58(47,48)24-10-2-20(3-11-24)36-30-40-28(41-31(44-30)37-21-4-12-25(13-5-21)59(49,50)51)34-18-1-19-35-29-42-32(38-22-6-14-26(15-7-22)60(52,53)54)45-33(43-29)39-23-8-16-27(17-9-23)61(55,56)57/h2-17H,1,18-19H2,(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H3,34,36,37,40,41,44)(H3,35,38,39,42,43,45)