3-[[2-[methyl(octadecyl)amino]-5-sulfo-phenyl]carbamoyl]-4-oxidanyl-naphthalene-1-sulfonic acid

Systemtic Name: 3-[[2-[methyl(octadecyl)amino]-5-sulfo-phenyl]carbamoyl]-4-oxidanyl-naphthalene-1-sulfonic acid Openeye Name: 4-hydroxy-3-[[2-[methyl(octadecyl)amino]-5-sulfo-phenyl]carbamoyl]naphthalene-1-sulfonic acid CAS Name: 4-hydroxy-3-[[2-[methyl(octadecyl)amino]-5-sulfoanilino]-oxomethyl]-1-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-3-[[2-[methyl(octadecyl)amino]-5-sulfophenyl]carbamoyl]naphthalene-1-sulfonic acid Traditional Name: 4-hydroxy-3-[[2-[methyl(stearyl)amino]-5-sulfo-phenyl]carbamoyl]naphthalene-1-sulfonic acid Formula: C36H52N2O8S2 MolecularWeight: 704.93668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)S(=O)(=O)O)NC(=O)C2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)S(=O)(=O)O)NC(=O)C2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)O)O

InChI

InChI=1S/C36H52N2O8S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-38(2)33-24-23-28(47(41,42)43)26-32(33)37-36(40)31-27-34(48(44,45)46)29-21-18-19-22-30(29)35(31)39/h18-19,21-24,26-27,39H,3-17,20,25H2,1-2H3,(H,37,40)(H,41,42,43)(H,44,45,46)