Compound C36H56N2O5S

4-[(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]-3-[methyl(octadecyl)amino]benzenesulfonic acid

CAS: 2589-61-9

Molecular Formula	`C36H56N2O5S`
Molecular Weight	628.9 g/mol
LogP	12.0
Topological Polar Surface Area	115.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	21
Exact Mass	628.391
Heavy Atoms	44
Complexity	893.0

Chemical Identifiers

CAS Number	2589-61-9
SMILES	`CCCCCCCCCCCCCCCCCCN(C)C1=C(C=CC(=C1)S(=O)(=O)O)NC(=O)C2=C(C3=C(CCCC3)C=C2)O`
InChIKey	`YCETZYXKHCVZDL-UHFFFAOYSA-N`

📖 Product Overview

Compound C36H56N2O5S (CAS: 2589-61-9) is a chemical compound with molecular formula C36H56N2O5S and molecular weight 628.9 g/mol. Its IUPAC systematic name is 4-[(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]-3-[methyl(octadecyl)amino]benzenesulfonic acid. LogP 12.0 Topological Polar Surface Area 115.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 21 Exact Mass 628.391 Heavy Atoms 44 Complexity 893.0 InChI Key: YCETZYXKHCVZDL-UHFFFAOYSA-N. SMILES: CCCCCCCCCCCCCCCCCCN(C)C1=C(C=CC(=C1)S(=O)(=O)O)NC(=O)C2=C(C3=C(CCCC3)C=C2)O.

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