1-azanyl-4-[[3-[[4-chloranyl-6-[(2-methyl-4-sulfo-phenyl)amino]-1,3,5-triazin-2-yl]amino]-4-sulfo-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[[3-[[4-chloranyl-6-[(2-methyl-4-sulfo-phenyl)amino]-1,3,5-triazin-2-yl]amino]-4-sulfo-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[3-[[4-chloro-6-(2-methyl-4-sulfo-anilino)-1,3,5-triazin-2-yl]amino]-4-sulfo-anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[3-[[4-chloro-6-(2-methyl-4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-4-sulfoanilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[3-[[4-chloro-6-(2-methyl-4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-4-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-[3-[[4-chloro-6-(2-methyl-4-sulfo-anilino)-s-triazin-2-yl]amino]-4-sulfo-anilino]-9,10-diketo-anthracene-2-sulfonic acid Formula: C30H22ClN7O11S3 MolecularWeight: 788.18398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)O)NC2=NC(=NC(=N2)Cl)NC3=C(C=CC(=C3)NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)O)NC2=NC(=NC(=N2)Cl)NC3=C(C=CC(=C3)NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C30H22ClN7O11S3/c1-13-10-15(50(41,42)43)7-8-18(13)34-29-36-28(31)37-30(38-29)35-19-11-14(6-9-21(19)51(44,45)46)33-20-12-22(52(47,48)49)25(32)24-23(20)26(39)16-4-2-3-5-17(16)27(24)40/h2-12,33H,32H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H2,34,35,36,37,38)