Structure

4-Hydroxy-7-[[[[5-hydroxy-6-(phenylazo)-7-sulpho-2-naphthyl]amino]carbonyl]amino]-2-[(7-sulpho-2-naphthyl)azo]naphthalenesulphonic acid

CAS
93919-34-7
Catalog Number
ACM93919347
Category
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What is the molecular formula of 4-Hydroxy-7-[[[[5-hydroxy-6-(phenylazo)-7-sulpho-2-naphthyl]amino]carbonyl]amino]-2-[(7-sulpho-2-naphthyl)azo]naphthalenesulphonic acid?

The molecular formula is C37H26N6O12S3.

When was this compound created and last modified?

It was created on 2005-08-08 and last modified on 2023-12-30.

What is the IUPAC Name of the compound?

The IUPAC Name is 4-hydroxy-7-[[5-hydroxy-8-sulfo-7-[(7-sulfonaphthalen-2-yl)diazenyl]naphthalen-2-yl]carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonic acid.

What is the InChIKey of this compound?

The InChIKey is LDKLPAISLIHHTB-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is C1=CC=C(C=C1)N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=C(C(=CC(=C5C=C4)O)N=NC6=CC7=C(C=C6)C=CC(=C7)S(=O)(=O)O)S(=O)(=O)O.

What is the molecular weight of the compound?

The molecular weight is 842.8 g/mol.

How many hydrogen bond donor counts does this compound have?

It has 7 hydrogen bond donor counts.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 5.3.

What is the exact mass of the compound?

The exact mass is 842.07708381 g/mol.

How many topological polar surface areas does this compound have?

It has a topological polar surface area of 319 Ų.

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