6,13-bis(chloranyl)-3-[2-[[4-chloranyl-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]propylamino]-10-(2-sulfooxyethylamino)-[1,4]benzoxazino[2,3-b]phenoxazine-2,9-disulfonic acid

Systemtic Name: 6,13-bis(chloranyl)-3-[2-[[4-chloranyl-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]propylamino]-10-(2-sulfooxyethylamino)-[1,4]benzoxazino[2,3-b]phenoxazine-2,9-disulfonic acid Openeye Name: 6,13-dichloro-3-[2-[[4-chloro-6-[4-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]propylamino]-10-(2-sulfooxyethylamino)-[1,4]benzoxazino[2,3-b]phenoxazine-2,9-disulfonic acid CAS Name: 6,13-dichloro-3-[2-[[4-chloro-6-[4-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]propylamino]-10-(2-sulfooxyethylamino)-[1,4]benzoxazino[2,3-b]phenoxazine-2,9-disulfonic acid IUPAC Name: 6,13-dichloro-3-[2-[[4-chloro-6-[4-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]propylamino]-10-(2-sulfooxyethylamino)-[1,4]benzoxazino[2,3-b]phenoxazine-2,9-disulfonic acid Traditional Name: 6,13-dichloro-3-[2-[[4-chloro-6-[4-(2-sulfoxyethylsulfonyl)anilino]-s-triazin-2-yl]amino]propylamino]-10-(2-sulfoxyethylamino)-[1,4]benzoxazino[2,3-b]phenoxazine-2,9-disulfonic acid Formula: C34H30Cl3N9O18S5 MolecularWeight: 1119.3355

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=C(C=C2C(=C1)OC3=C(C4=NC5=CC(=C(C=C5OC4=C(C3=N2)Cl)NCCOS(=O)(=O)O)S(=O)(=O)O)Cl)S(=O)(=O)O)NC6=NC(=NC(=N6)NC7=CC=C(C=C7)S(=O)(=O)CCOS(=O)(=O)O)Cl

Isomeric SMILES

CC(CNC1=C(C=C2C(=C1)OC3=C(C4=NC5=CC(=C(C=C5OC4=C(C3=N2)Cl)NCCOS(=O)(=O)O)S(=O)(=O)O)Cl)S(=O)(=O)O)NC6=NC(=NC(=N6)NC7=CC=C(C=C7)S(=O)(=O)CCOS(=O)(=O)O)Cl

InChI

InChI=1S/C34H30Cl3N9O18S5/c1-15(40-33-44-32(37)45-34(46-33)41-16-2-4-17(5-3-16)65(47,48)9-8-62-69(58,59)60)14-39-21-11-23-19(13-25(21)67(52,53)54)43-29-26(35)30-28(27(36)31(29)64-23)42-18-12-24(66(49,50)51)20(10-22(18)63-30)38-6-7-61-68(55,56)57/h2-5,10-13,15,38-39H,6-9,14H2,1H3,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H2,40,41,44,45,46)