Calcon

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H13N2O5S.Na
Molecular Weight	416.382
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].OC1=C(\N=N\C2=C(O)C=C(C3=CC=CC=C23)S([O-])(=O)=O)C4=C(C=CC=C4)C=C1

InChI

InChIKey=ZQWICJYATMSSSD-QUABFQRHSA-M

InChI=1S/C20H14N2O5S.Na/c23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;/h1-11,23-24H,(H,25,26,27);/q;+1/p-1/b22-21+;

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C20H13N2O5S
Molecular Weight	393.393
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:04:03 GMT 2025` Edited by `admin` on `Tue Apr 01 19:04:03 GMT 2025`
Record UNII	Q2LFW2UVR6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-47714

Preferred Name

English

Calcon

Common Name

English

1-Naphthalenesulfonic acid, 3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-, monosodium salt

Common Name

English

1-Naphthalenesulfonic acid, 3-hydroxy-4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt

Systematic Name

English

Code System Code Type Description

PUBCHEM

135465074