1,4-bis[(5-methyl-1-phenyl-hexan-3-yl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1,4-bis[(5-methyl-1-phenyl-hexan-3-yl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1,4-bis[(3-methyl-1-phenethyl-butyl)amino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1,4-bis[(5-methyl-1-phenylhexan-3-yl)amino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1,4-bis[(5-methyl-1-phenylhexan-3-yl)amino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 9,10-diketo-1,4-bis[(3-methyl-1-phenethyl-butyl)amino]anthracene-2-sulfonic acid Formula: C40H46N2O5S MolecularWeight: 666.86864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CCC1=CC=CC=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)NC(CCC5=CC=CC=C5)CC(C)C)S(=O)(=O)O

Isomeric SMILES

CC(C)CC(CCC1=CC=CC=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)NC(CCC5=CC=CC=C5)CC(C)C)S(=O)(=O)O

InChI

InChI=1S/C40H46N2O5S/c1-26(2)23-30(21-19-28-13-7-5-8-14-28)41-34-25-35(48(45,46)47)38(37-36(34)39(43)32-17-11-12-18-33(32)40(37)44)42-31(24-27(3)4)22-20-29-15-9-6-10-16-29/h5-18,25-27,30-31,41-42H,19-24H2,1-4H3,(H,45,46,47)