azanium 1-butan-2-yl-7-[[5-(4-hydroxyphenyl)sulfonyl-2-oxidanyl-phenyl]methyl]naphthalene-2-sulfonate

Systemtic Name: azanium 1-butan-2-yl-7-[[5-(4-hydroxyphenyl)sulfonyl-2-oxidanyl-phenyl]methyl]naphthalene-2-sulfonate Openeye Name: ammonium 7-[[2-hydroxy-5-(4-hydroxyphenyl)sulfonyl-phenyl]methyl]-1-sec-butyl-naphthalene-2-sulfonate CAS Name: ammonium 1-butan-2-yl-7-[[2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]-2-naphthalenesulfonate IUPAC Name: azanium 1-butan-2-yl-7-[[2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]naphthalene-2-sulfonate Traditional Name: ammonium 7-[2-hydroxy-5-(4-hydroxyphenyl)sulfonyl-benzyl]-1-sec-butyl-naphthalene-2-sulfonate Formula: C27H29NO7S2 MolecularWeight: 543.65166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C=CC2=C1C=C(C=C2)CC3=C(C=CC(=C3)S(=O)(=O)C4=CC=C(C=C4)O)O)S(=O)(=O)[O-].[NH4+]

Isomeric SMILES

CCC(C)C1=C(C=CC2=C1C=C(C=C2)CC3=C(C=CC(=C3)S(=O)(=O)C4=CC=C(C=C4)O)O)S(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C27H26O7S2.H3N/c1-3-17(2)27-24-15-18(4-5-19(24)6-13-26(27)36(32,33)34)14-20-16-23(11-12-25(20)29)35(30,31)22-9-7-21(28)8-10-22;/h4-13,15-17,28-29H,3,14H2,1-2H3,(H,32,33,34);1H3