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4-azanylbenzenesulfonic acid; 3,3-bis(4-hydroxyphenyl)butanal

4-azanylbenzenesulfonic acid; 3,3-bis(4-hydroxyphenyl)butanal

Systemtic Name:4-azanylbenzenesulfonic acid; 3,3-bis(4-hydroxyphenyl)butanal
Openeye Name:4-aminobenzenesulfonic acid; 3,3-bis(4-hydroxyphenyl)butanal
CAS Name:4-aminobenzenesulfonic acid; 3,3-bis(4-hydroxyphenyl)butanal
IUPAC Name:4-aminobenzenesulfonic acid; 3,3-bis(4-hydroxyphenyl)butanal
Traditional Name:4-aminobesylic acid; 3,3-bis(4-hydroxyphenyl)butyraldehyde
Formula: C22H23NO6S
MolecularWeight: 429.48612
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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=O)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1=CC(=CC=C1N)S(=O)(=O)O


Isomeric SMILES

CC(CC=O)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1=CC(=CC=C1N)S(=O)(=O)O


InChI

InChI=1S/C16H16O3.C6H7NO3S/c1-16(10-11-17,12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13;7-5-1-3-6(4-2-5)11(8,9)10/h2-9,11,18-19H,10H2,1H3;1-4H,7H2,(H,8,9,10)


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