Compound C18H20N2O6S

2-hydroxy-5-sulfobenzoic acid;2-(1H-indol-3-yl)-N-methylethanamine

CAS: 73826-56-9

Molecular Formula	`C18H20N2O6S`
Molecular Weight	392.4 g/mol
Topological Polar Surface Area	148.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	392.10422
Heavy Atoms	27
Complexity	474.0

Chemical Identifiers

CAS Number	73826-56-9
SMILES	`CNCCC1=CNC2=CC=CC=C21.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O`
InChIKey	`RSDLJUGOOWYSHN-UHFFFAOYSA-N`

📖 Product Overview

Compound C18H20N2O6S (CAS: 73826-56-9) is a chemical compound with molecular formula C18H20N2O6S and molecular weight 392.4 g/mol. Its IUPAC systematic name is 2-hydroxy-5-sulfobenzoic acid;2-(1H-indol-3-yl)-N-methylethanamine. Topological Polar Surface Area 148.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 7 Rotatable Bonds 5 Exact Mass 392.10422 Heavy Atoms 27 Complexity 474.0 InChI Key: RSDLJUGOOWYSHN-UHFFFAOYSA-N. SMILES: CNCCC1=CNC2=CC=CC=C21.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O.

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