5-(Acetylamino)-3-[(4-dodecylphenyl)azo]-4-hydroxynaphthalene-2,7-disulfonic acid

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CAS
93762-37-9
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Catalog Number

ACM93762379

Product Name

5-(Acetylamino)-3-[(4-dodecylphenyl)azo]-4-hydroxynaphthalene-2,7-disulfonic acid

Structure

CAS

93762-37-9

What is the molecular formula of the compound with PubChem CID 85110?

The molecular formula is C30H39N3O8S2.

What is the IUPAC name of the compound?

The IUPAC name is 5-acetamido-3-[(4-dodecylphenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid.

What is the computed InChI for the compound?

The computed InChI is InChI=1S/C30H39N3O8S2/c1-3-4-5-6-7-8-9-10-11-12-13-22-14-16-24(17-15-22)32-33-29-27(43(39,40)41)19-23-18-25(42(36,37)38)20-26(31-21(2)34)28(23)30(29)35/h14-20,35H,3-13H2,1-2H3,(H,31,34)(H,36,37,38)(H,39,40,41).

What is the InChIKey of the compound?

The InChIKey is AAKZHIRXVGWBRY-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CCCCCCCCCCCCC1=CC=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)NC(=O)C)O.

What is the CAS number of the compound?

The CAS number is 93762-37-9.

What is the European Community (EC) number of the compound?

The European Community (EC) number is 297-750-6.

What is the molecular weight of the compound?

The molecular weight is 633.8 g/mol.

How many hydrogen bond donor counts are there in the compound?

There are 4 hydrogen bond donor counts.

How many rotatable bond counts are there in the compound?

There are 16 rotatable bond counts.

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